6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate

C68H78Cl5N17O10 — CID 161373076

IUPAC6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
SMILESCC(=O)N1CCN(c2ccc(N)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3cc(NC4CC4)c(C(N)=O)cn3)cc2)CC1.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1NC1CC1.NC(=O)c1cnc(Cl)cc1NC1CC1.O=C(O)c1cnc(Cl)cc1NC1CC1
InChIInChI=1S/C21H26N6O2.C12H17N3O.C10H11ClN2O2.C9H10ClN3O.C9H9ClN2O2.C7H5Cl2NO2/c1-14(28)26-8-10-27(11-9-26)17-6-4-16(5-7-17)25-20-12-19(24-15-2-3-15)18(13-23-20)21(22)29;1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-15-10(14)7-5-12-9(11)4-8(7)13-6-2-3-6;10-8-3-7(13-5-1-2-5)6(4-12-8)9(11)14;10-8-3-7(12-5-1-2-5)6(4-11-8)9(13)14;1-12-7(11)4-3-10-6(9)2-5(4)8/h4-7,12-13,15H,2-3,8-11H2,1H3,(H2,22,29)(H2,23,24,25);2-5H,6-9,13H2,1H3;4-6H,2-3H2,1H3,(H,12,13);3-5H,1-2H2,(H2,11,14)(H,12,13);3-5H,1-2H2,(H,11,12)(H,13,14);2-3H,1H3
InChIKeyVQSIJCFGPDZILY-UHFFFAOYSA-N
MW1470.75 g/mol
LogP10.79
Rot. Bonds17

About 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate

6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate (PubChem CID 161373076) has the molecular formula C68H78Cl5N17O10 and a molecular weight of 1470.75 g/mol. Its IUPAC name is 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
PubChem CID161373076
Molecular FormulaC68H78Cl5N17O10
Molecular Weight1470.75 g/mol
Exact Mass1467.46
IUPAC Name6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
SMILESCC(=O)N1CCN(c2ccc(N)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3cc(NC4CC4)c(C(N)=O)cn3)cc2)CC1.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1NC1CC1.NC(=O)c1cnc(Cl)cc1NC1CC1.O=C(O)c1cnc(Cl)cc1NC1CC1
InChIInChI=1S/C21H26N6O2.C12H17N3O.C10H11ClN2O2.C9H10ClN3O.C9H9ClN2O2.C7H5Cl2NO2/c1-14(28)26-8-10-27(11-9-26)17-6-4-16(5-7-17)25-20-12-19(24-15-2-3-15)18(13-23-20)21(22)29;1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-15-10(14)7-5-12-9(11)4-8(7)13-6-2-3-6;10-8-3-7(13-5-1-2-5)6(4-12-8)9(11)14;10-8-3-7(12-5-1-2-5)6(4-11-8)9(13)14;1-12-7(11)4-3-10-6(9)2-5(4)8/h4-7,12-13,15H,2-3,8-11H2,1H3,(H2,22,29)(H2,23,24,25);2-5H,6-9,13H2,1H3;4-6H,2-3H2,1H3,(H,12,13);3-5H,1-2H2,(H2,11,14)(H,12,13);3-5H,1-2H2,(H,11,12)(H,13,14);2-3H,1H3
InChIKeyVQSIJCFGPDZILY-UHFFFAOYSA-N
XLogP10.79
TPSA373.80 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001470.75
LogP ≤ 510.79
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate with MolForge

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Related Compounds

6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 163914378
3-[4-[3-Cyano-5-ethoxycarbonyl-6-(trifluoromethyl)pyridin-2-yl]-1-(phenylcarbamoyl)piperazin-2-yl]propanoic acid;ethyl 5-chloro-6-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 161852346
5-bromopyridin-2-amine;6-[(6-bromopyridine-3-carbonyl)amino]-N-(5-bromo-2-pyridinyl)pyridine-3-carboxamide;6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid;6-bromopyridine-3-carboxylic acid;2-chloro-1-methylpyridin-1-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylate;6-(propylamino)-N-[5-[[5-(propylamino)-2-pyridinyl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide;5-N-propyl-2-N-[[6-[[6-(propylamino)-3-pyridinyl]methylamino]-3-pyridinyl]methyl]pyridine-2,5-diamine
CID 157130576
6-Chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine
CID 157183753
Benzene-1,2-diamine;tert-butyl 7-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-(5-methoxycarbonyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;methyl 6-chloropyridine-3-carboxylate
CID 157260774
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 157269846
tert-butyl 4-oxopiperidine-1-carboxylate;methyl 5-chloro-6-[(3S)-3-ethyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-6-[(3S)-3-ethylpiperazin-1-yl]pyridine-3-carboxylate
CID 157453195
4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 157501739
6-[4-(4-Acetylpiperazin-1-yl)anilino]-2-(cyclobutylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-2-(cyclobutylamino)pyridine-3-carboxamide;6-chloro-2-(cyclobutylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;methyl 6-chloro-2-(cyclobutylamino)pyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate
CID 157504308
Sodium;azane;cyclopropanamine;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;isoquinolin-6-amine;methane;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;hydroxide
CID 157545618
azane;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-piperidin-4-ylpyridine-3-carboxamide;4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid;hydrochloride
CID 157705022
6-amino-4-methyl-1H-quinolin-2-one;5-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;bis(5-chloro-2-morpholin-4-ylpyridine-3-carboxylic acid);2,5-dichloropyridine-3-carboxylic acid;oxane
CID 157796366

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate?
The IUPAC name of 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate (CID 161373076) is 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate?
The canonical SMILES for 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate is CC(=O)N1CCN(c2ccc(N)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3cc(NC4CC4)c(C(N)=O)cn3)cc2)CC1.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1NC1CC1.NC(=O)c1cnc(Cl)cc1NC1CC1.O=C(O)c1cnc(Cl)cc1NC1CC1.
What is the InChIKey of 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate?
The InChIKey is VQSIJCFGPDZILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2.C12H17N3O.C10H11ClN2O2.C9H10ClN3O.C9H9ClN2O2.C7H5Cl2NO2/c1-14(28)26-8-10-27(11-9-26)17-6-4-16(5-7-17)25-20-12-19(24-15-2-3-15)18(13-23-20)21(22)29;1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-15-10(14)7-5-12-9(11)4-8(7)13-6-2-3-6;10-8-3-7(13-5-1-2-5)6(4-12-8)9(11)14;10-8-3-7(12-5-1-2-5)6(4-11-8)9(13)14;1-12-7(11)4-3-10-6(9)2-5(4)8/h4-7,12-13,15H,2-3,8-11H2,1H3,(H2,22,29)(H2,23,24,25);2-5H,6-9,13H2,1H3;4-6H,2-3H2,1H3,(H,12,13);3-5H,1-2H2,(H2,11,14)(H,12,13);3-5H,1-2H2,(H,11,12)(H,13,14);2-3H,1H3.
What are the key properties of 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate?
6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate has a molecular weight of 1470.75 g/mol, XLogP of 10.79, 17 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-4-(cyclopropylamino)pyridine-3-carboxamide;6-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(cyclopropylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 161373076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).