2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid

C85H102N16O12 — CID 159101284

IUPAC2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1N.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C32H39N5O5.C22H23N5O.C16H19N3O2.C15H21N3O4/c1-31(2,3)41-29(39)35-26-9-7-23(22-11-13-33-14-12-22)19-25(26)20-27(38)24-8-10-28(34-21-24)36-15-17-37(18-16-36)30(40)42-32(4,5)6;23-20-3-1-17(16-5-7-24-8-6-16)13-19(20)14-21(28)18-2-4-22(26-15-18)27-11-9-25-10-12-27;1-16(2,3)21-15(20)19-14-5-4-12(10-13(14)17)11-6-8-18-9-7-11;1-15(2,3)22-14(21)18-8-6-17(7-9-18)12-5-4-11(10-16-12)13(19)20/h7-14,19,21H,15-18,20H2,1-6H3,(H,35,39);1-8,13,15,25H,9-12,14,23H2;4-10H,17H2,1-3H3,(H,19,20);4-5,10H,6-9H2,1-3H3,(H,19,20)
InChIKeyKDHVGHBNUPYYHM-UHFFFAOYSA-N
MW1539.85 g/mol
LogP14.05
Rot. Bonds15

About 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid

2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 159101284) has the molecular formula C85H102N16O12 and a molecular weight of 1539.85 g/mol. Its IUPAC name is 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID159101284
Molecular FormulaC85H102N16O12
Molecular Weight1539.85 g/mol
Exact Mass1538.79
IUPAC Name2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1N.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C32H39N5O5.C22H23N5O.C16H19N3O2.C15H21N3O4/c1-31(2,3)41-29(39)35-26-9-7-23(22-11-13-33-14-12-22)19-25(26)20-27(38)24-8-10-28(34-21-24)36-15-17-37(18-16-36)30(40)42-32(4,5)6;23-20-3-1-17(16-5-7-24-8-6-16)13-19(20)14-21(28)18-2-4-22(26-15-18)27-11-9-25-10-12-27;1-16(2,3)21-15(20)19-14-5-4-12(10-13(14)17)11-6-8-18-9-7-11;1-15(2,3)22-14(21)18-8-6-17(7-9-18)12-5-4-11(10-16-12)13(19)20/h7-14,19,21H,15-18,20H2,1-6H3,(H,35,39);1-8,13,15,25H,9-12,14,23H2;4-10H,17H2,1-3H3,(H,19,20);4-5,10H,6-9H2,1-3H3,(H,19,20)
InChIKeyKDHVGHBNUPYYHM-UHFFFAOYSA-N
XLogP14.05
TPSA358.31 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001539.85
LogP ≤ 514.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid 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

5-[[4-[1-[4-Carbamoyl-1-[2-carboxy-4-[(4-methylbenzoyl)amino]phenyl]piperidin-4-yl]piperidin-3-yl]-2-fluorobenzoyl]amino]-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 155075258
CID 157874595
CID 157874595
2-amino-3-(trifluoromethyl)benzoic acid;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[2-[[2-amino-3-(trifluoromethyl)benzoyl]amino]-3-cyclohexylpropanoyl]amino]pyridine-3-carboxylate;methyl 6-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pyridine-3-carboxylate;methyl 6-[[(2R)-3-cyclohexyl-2-[4-oxo-8-(trifluoromethyl)quinazolin-3-yl]propanoyl]amino]pyridine-3-carboxylate
CID 159335883
CID 139147013
CID 139147013
5-[[2-[2-[4-[(2-Methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-pyridinyl]-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-3-carboxylic acid
CID 67128194
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-2-[2-(3-fluorophenyl)ethylamino]-5-pyridin-2-ylpyridine-3-carboxamide;6-[(5-amino-5-oxopentyl)amino]-2-[2-(3-fluorophenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 69248483
Propan-2-yl 2-[4-[(4-aminophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate;propan-2-yl 2-[4-[(3-benzamidophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 89388265
4-[[N'-[3-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)-2-pyridinyl]carbamimidoyl]amino]-N-[1-[2-[4-[[4-[[N'-[3-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]carbamimidoyl]amino]benzoyl]-methylamino]piperidin-1-yl]ethyl]piperidin-4-yl]-N-methylbenzamide
CID 123641842
4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane
CID 144625201
CID 157204656
CID 157204656
2-(2-Amino-5-phenylphenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-2-yl]piperazine-1-carboxylate;2-methyl-4-phenylaniline;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-6-carboxylic acid
CID 157218882
2,3-diaminobenzoic acid;2-methylpyridine-4-carbaldehyde;2-(2-methyl-4-pyridinyl)-3H-indole-7-carboxylic acid;2-(2-methyl-4-pyridinyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide
CID 157356998

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid (CID 159101284) is 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1N.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is KDHVGHBNUPYYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O5.C22H23N5O.C16H19N3O2.C15H21N3O4/c1-31(2,3)41-29(39)35-26-9-7-23(22-11-13-33-14-12-22)19-25(26)20-27(38)24-8-10-28(34-21-24)36-15-17-37(18-16-36)30(40)42-32(4,5)6;23-20-3-1-17(16-5-7-24-8-6-16)13-19(20)14-21(28)18-2-4-22(26-15-18)27-11-9-25-10-12-27;1-16(2,3)21-15(20)19-14-5-4-12(10-13(14)17)11-6-8-18-9-7-11;1-15(2,3)22-14(21)18-8-6-17(7-9-18)12-5-4-11(10-16-12)13(19)20/h7-14,19,21H,15-18,20H2,1-6H3,(H,35,39);1-8,13,15,25H,9-12,14,23H2;4-10H,17H2,1-3H3,(H,19,20);4-5,10H,6-9H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid?
2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 1539.85 g/mol, XLogP of 14.05, 15 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 159101284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).