3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate

C112H121F4N23O9 — CID 160574827

IUPAC3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate
SMILESCCCNC(=O)c1ccc(F)c(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c1.COC(=O)c1ccc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c(F)c1.Nc1ccc(-c2cc(C(=O)NC3CCCCC3)ccc2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2cc(C(=O)Nc3ccccc3)ccc2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C30H35FN6O2.C30H29FN6O2.C27H31FN6O2.C25H26FN5O3/c2*31-24-9-8-19(30(39)35-22-6-2-1-3-7-22)15-23(24)26-11-10-25(33)29(36-26)28(38)16-20-17-34-13-12-27(20)37-14-4-5-21(32)18-37;1-2-10-32-27(36)17-5-6-21(28)20(13-17)23-8-7-22(30)26(33-23)25(35)14-18-15-31-11-9-24(18)34-12-3-4-19(29)16-34;1-34-25(33)15-4-5-18(19(26)11-15)21-7-6-20(28)24(30-21)23(32)12-16-13-29-9-8-22(16)31-10-2-3-17(27)14-31/h8-13,15,17,21-22H,1-7,14,16,18,32-33H2,(H,35,39);1-3,6-13,15,17,21H,4-5,14,16,18,32-33H2,(H,35,39);5-9,11,13,15,19H,2-4,10,12,14,16,29-30H2,1H3,(H,32,36);4-9,11,13,17H,2-3,10,12,14,27-28H2,1H3/t2*21-;19-;17-/m0000/s1
InChIKeyRAZXFLCGYAFJMH-UGXIDAOVSA-N
MW2009.34 g/mol
LogP15.11
Rot. Bonds28

About 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate

3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate (PubChem CID 160574827) has the molecular formula C112H121F4N23O9 and a molecular weight of 2009.34 g/mol. Its IUPAC name is 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate.

Molecular Properties

Compound Name3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate
PubChem CID160574827
Molecular FormulaC112H121F4N23O9
Molecular Weight2009.34 g/mol
Exact Mass2007.97
IUPAC Name3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate
SMILESCCCNC(=O)c1ccc(F)c(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c1.COC(=O)c1ccc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c(F)c1.Nc1ccc(-c2cc(C(=O)NC3CCCCC3)ccc2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2cc(C(=O)Nc3ccccc3)ccc2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C30H35FN6O2.C30H29FN6O2.C27H31FN6O2.C25H26FN5O3/c2*31-24-9-8-19(30(39)35-22-6-2-1-3-7-22)15-23(24)26-11-10-25(33)29(36-26)28(38)16-20-17-34-13-12-27(20)37-14-4-5-21(32)18-37;1-2-10-32-27(36)17-5-6-21(28)20(13-17)23-8-7-22(30)26(33-23)25(35)14-18-15-31-11-9-24(18)34-12-3-4-19(29)16-34;1-34-25(33)15-4-5-18(19(26)11-15)21-7-6-20(28)24(30-21)23(32)12-16-13-29-9-8-22(16)31-10-2-3-17(27)14-31/h8-13,15,17,21-22H,1-7,14,16,18,32-33H2,(H,35,39);1-3,6-13,15,17,21H,4-5,14,16,18,32-33H2,(H,35,39);5-9,11,13,15,19H,2-4,10,12,14,16,29-30H2,1H3,(H,32,36);4-9,11,13,17H,2-3,10,12,14,27-28H2,1H3/t2*21-;19-;17-/m0000/s1
InChIKeyRAZXFLCGYAFJMH-UGXIDAOVSA-N
XLogP15.11
TPSA506.12 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002009.34
LogP ≤ 515.11
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(3R,4S,5S)-3-amino-1-[3-[[6-[4-(ethoxymethyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 91937654
methyl 4-[5-amino-6-[[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]carbamoyl]-2-pyridinyl]-3-fluorobenzoate
CID 68162258
[(3S,5S)-5-amino-1-[3-[[3-amino-6-(5-carbamoyl-2-fluorophenyl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperidin-3-yl] benzoate
CID 68187581
[(3S,5S)-5-amino-1-[3-[[3-amino-6-[2-fluoro-5-(methylcarbamoyl)phenyl]pyridine-2-carbonyl]amino]-4-pyridinyl]piperidin-3-yl] benzoate
CID 68187681
Benzyl [(3S)-1-(3-{[(3-{[(benzyloxy)carbonyl]amino}-6-fluoro-7-vinylquinolin-2-yl)carbonyl]amino}pyridin-4-yl)piperidin-3-yl]carbamate
CID 86726866
[(3S,5S)-5-amino-1-[3-[[3-amino-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carbonyl]amino]-4-pyridinyl]piperidin-3-yl] benzoate
CID 90377217
[(3S,5S)-5-amino-1-[3-[[3-amino-6-[5-(ethylcarbamoyl)-2-fluorophenyl]pyridine-2-carbonyl]amino]-4-pyridinyl]piperidin-3-yl] benzoate
CID 90377228
[1-[4-[[7-(3,6-dihydro-2H-pyran-4-yl)-2-[[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]carbamoyl]quinolin-3-yl]carbamoyloxymethyl]phenyl]-2-methylpropan-2-yl] N-[1-[3-[[3-amino-7-(3,6-dihydro-2H-pyran-4-yl)quinoline-2-carbonyl]amino]-4-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 123559318
benzyl N-[7-ethenyl-6-fluoro-2-[[4-[3-(phenylmethoxycarbonylamino)piperidin-1-yl]-3-pyridinyl]carbamoyl]quinolin-3-yl]carbamate
CID 123638341
[1-[4-[[7-(3,6-dihydro-2H-pyran-4-yl)-2-[[4-[(3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]carbamoyl]quinolin-3-yl]carbamoyloxymethyl]phenyl]-2-methylpropan-2-yl] N-[(3S,5R)-1-[3-[[3-amino-7-(3,6-dihydro-2H-pyran-4-yl)quinoline-2-carbonyl]amino]-4-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 130442197
methyl 4-[6-[[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-3,5-difluorobenzoate
CID 144436975
[(3S)-1-[3-[[3-amino-6-(5-carbamoyl-2-fluorophenyl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperidin-3-yl] benzoate
CID 145468544

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate?
The IUPAC name of 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate (CID 160574827) is 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate.
What is the SMILES notation for 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate?
The canonical SMILES for 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate is CCCNC(=O)c1ccc(F)c(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c1.COC(=O)c1ccc(-c2ccc(N)c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)n2)c(F)c1.Nc1ccc(-c2cc(C(=O)NC3CCCCC3)ccc2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.Nc1ccc(-c2cc(C(=O)Nc3ccccc3)ccc2F)nc1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate?
The InChIKey is RAZXFLCGYAFJMH-UGXIDAOVSA-N. The full InChI is InChI=1S/C30H35FN6O2.C30H29FN6O2.C27H31FN6O2.C25H26FN5O3/c2*31-24-9-8-19(30(39)35-22-6-2-1-3-7-22)15-23(24)26-11-10-25(33)29(36-26)28(38)16-20-17-34-13-12-27(20)37-14-4-5-21(32)18-37;1-2-10-32-27(36)17-5-6-21(28)20(13-17)23-8-7-22(30)26(33-23)25(35)14-18-15-31-11-9-24(18)34-12-3-4-19(29)16-34;1-34-25(33)15-4-5-18(19(26)11-15)21-7-6-20(28)24(30-21)23(32)12-16-13-29-9-8-22(16)31-10-2-3-17(27)14-31/h8-13,15,17,21-22H,1-7,14,16,18,32-33H2,(H,35,39);1-3,6-13,15,17,21H,4-5,14,16,18,32-33H2,(H,35,39);5-9,11,13,15,19H,2-4,10,12,14,16,29-30H2,1H3,(H,32,36);4-9,11,13,17H,2-3,10,12,14,27-28H2,1H3/t2*21-;19-;17-/m0000/s1.
What are the key properties of 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate?
3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate has a molecular weight of 2009.34 g/mol, XLogP of 15.11, 28 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-N-cyclohexyl-4-fluorobenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-phenylbenzamide;3-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-4-fluoro-N-propylbenzamide;methyl 4-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]-3-fluorobenzoate is sourced from PubChem (CID 160574827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).