bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C66H60Cl3F5N22O12 — CID 161302201

IUPACbis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)OC(=O)Nc1ccncc1C(=O)O.CC(C)(C)OC(=O)Nc1ccncc1C(N)=O.Fc1ccc(Cl)cc1-c1nc(Cl)c2nccnc2n1.NC(=O)c1cnccc1N.NC(=O)c1cnccc1N.NC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C18H11ClFN7O.C12H5Cl2FN4.C11H15N3O3.C11H14N2O4.2C6H7N3O.C2HF3O2/c19-9-1-2-12(20)10(7-9)16-26-17-14(23-5-6-24-17)18(27-16)25-13-3-4-22-8-11(13)15(21)28;13-6-1-2-8(15)7(5-6)11-18-10(14)9-12(19-11)17-4-3-16-9;1-11(2,3)17-10(16)14-8-4-5-13-6-7(8)9(12)15;1-11(2,3)17-10(16)13-8-4-5-12-6-7(8)9(14)15;2*7-5-1-2-9-3-4(5)6(8)10;3-2(4,5)1(6)7/h1-8H,(H2,21,28)(H,22,24,25,26,27);1-5H;4-6H,1-3H3,(H2,12,15)(H,13,14,16);4-6H,1-3H3,(H,14,15)(H,12,13,16);2*1-3H,(H2,7,9)(H2,8,10);(H,6,7)
InChIKeyCHXSYHIHTXLRPB-UHFFFAOYSA-N
MW1554.70 g/mol
LogP10.46
Rot. Bonds11

About bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 161302201) has the molecular formula C66H60Cl3F5N22O12 and a molecular weight of 1554.70 g/mol. Its IUPAC name is bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namebis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID161302201
Molecular FormulaC66H60Cl3F5N22O12
Molecular Weight1554.70 g/mol
Exact Mass1552.37
IUPAC Namebis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)OC(=O)Nc1ccncc1C(=O)O.CC(C)(C)OC(=O)Nc1ccncc1C(N)=O.Fc1ccc(Cl)cc1-c1nc(Cl)c2nccnc2n1.NC(=O)c1cnccc1N.NC(=O)c1cnccc1N.NC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C18H11ClFN7O.C12H5Cl2FN4.C11H15N3O3.C11H14N2O4.2C6H7N3O.C2HF3O2/c19-9-1-2-12(20)10(7-9)16-26-17-14(23-5-6-24-17)18(27-16)25-13-3-4-22-8-11(13)15(21)28;13-6-1-2-8(15)7(5-6)11-18-10(14)9-12(19-11)17-4-3-16-9;1-11(2,3)17-10(16)14-8-4-5-13-6-7(8)9(12)15;1-11(2,3)17-10(16)13-8-4-5-12-6-7(8)9(14)15;2*7-5-1-2-9-3-4(5)6(8)10;3-2(4,5)1(6)7/h1-8H,(H2,21,28)(H,22,24,25,26,27);1-5H;4-6H,1-3H3,(H2,12,15)(H,13,14,16);4-6H,1-3H3,(H,14,15)(H,12,13,16);2*1-3H,(H2,7,9)(H2,8,10);(H,6,7)
InChIKeyCHXSYHIHTXLRPB-UHFFFAOYSA-N
XLogP10.46
TPSA555.26 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001554.70
LogP ≤ 510.46
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-Pyridinecarboxylic acid, 4-[[2-(5-chloro-2-fluorophenyl)-7-[methyl(phenylmethyl)amino]pyrido[2,3-d]pyrimidin-4-yl]amino]-
CID 11856491
4-[2-(5-Chloro-2-fluoro-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamino]-nicotinic acid
CID 11856489
5-Chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid
CID 58645709
5-Chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
CID 58645736
5-Chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid
CID 58645806
4-[2-(5-Chloro-2-fluoro-phenyl)-7-(2-dimethylamino-ethylamino)-pyrido[2,3-d]pyrimidin-4-ylamino]-nicotinic acid
CID 58835252
4-[[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylic acid
CID 68260879
4-[[(1S)-1-(3-chloro-4-fluorophenyl)-2-(ethylamino)ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799802
4-[[(1S)-1-(3-chloro-4-fluorophenyl)-2-(methylamino)ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799803
1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone;5-chloro-2-methylpyridine;1-(5-chloro-2-methyl-3-pyridinyl)-1-(2-chloro-3-pyridinyl)-2,2,2-trifluoroethanol;1-(5-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethane-1,1-diol;1-(5-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanone;5-chloropyridin-2-amine;3-chloro-5-(trifluoromethyl)pyrido[2,3-b][1,8]naphthyridine;3-chloro-5-(trifluoromethyl)-10H-pyrido[2,3-b][1,8]naphthyridin-5-ol
CID 157825388
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyridine-3-carboxylate
CID 157831341
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
CID 157868186

Frequently Asked Questions

What is the IUPAC name of bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 161302201) is bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)Nc1ccncc1C(=O)O.CC(C)(C)OC(=O)Nc1ccncc1C(N)=O.Fc1ccc(Cl)cc1-c1nc(Cl)c2nccnc2n1.NC(=O)c1cnccc1N.NC(=O)c1cnccc1N.NC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is CHXSYHIHTXLRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN7O.C12H5Cl2FN4.C11H15N3O3.C11H14N2O4.2C6H7N3O.C2HF3O2/c19-9-1-2-12(20)10(7-9)16-26-17-14(23-5-6-24-17)18(27-16)25-13-3-4-22-8-11(13)15(21)28;13-6-1-2-8(15)7(5-6)11-18-10(14)9-12(19-11)17-4-3-16-9;1-11(2,3)17-10(16)14-8-4-5-13-6-7(8)9(12)15;1-11(2,3)17-10(16)13-8-4-5-12-6-7(8)9(14)15;2*7-5-1-2-9-3-4(5)6(8)10;3-2(4,5)1(6)7/h1-8H,(H2,21,28)(H,22,24,25,26,27);1-5H;4-6H,1-3H3,(H2,12,15)(H,13,14,16);4-6H,1-3H3,(H,14,15)(H,12,13,16);2*1-3H,(H2,7,9)(H2,8,10);(H,6,7).
What are the key properties of bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 1554.70 g/mol, XLogP of 10.46, 11 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161302201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).