6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride

C51H56Cl6F3N9O7S3 — CID 158539061

IUPAC6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(F)cc2)cn1.COCCCN.Nc1ccc(F)cc1.O=C(Cl)c1ccc(Cl)nc1.O=C(Nc1ccc(F)cc1)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.O=S(Cl)Cl.S.S
InChIInChI=1S/C17H20FN3O.C12H8ClFN2O.C6H3Cl2NO.C6H4ClNO2.C6H6FN.C4H11NO.Cl2OS.2H2S/c1-2-3-4-11-19-16-10-5-13(12-20-16)17(22)21-15-8-6-14(18)7-9-15;13-11-6-1-8(7-15-11)12(17)16-10-4-2-9(14)3-5-10;7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;7-5-1-3-6(8)4-2-5;1-6-4-2-3-5;1-4(2)3;;/h5-10,12H,2-4,11H2,1H3,(H,19,20)(H,21,22);1-7H,(H,16,17);1-3H;1-3H,(H,9,10);1-4H,8H2;2-5H2,1H3;;2*1H2
InChIKeyHOHKCRZBIJMUMZ-UHFFFAOYSA-N
MW1272.98 g/mol
LogP13.41
Rot. Bonds14

About 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride

6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride (PubChem CID 158539061) has the molecular formula C51H56Cl6F3N9O7S3 and a molecular weight of 1272.98 g/mol. Its IUPAC name is 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride.

Molecular Properties

Compound Name6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride
PubChem CID158539061
Molecular FormulaC51H56Cl6F3N9O7S3
Molecular Weight1272.98 g/mol
Exact Mass1269.15
IUPAC Name6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(F)cc2)cn1.COCCCN.Nc1ccc(F)cc1.O=C(Cl)c1ccc(Cl)nc1.O=C(Nc1ccc(F)cc1)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.O=S(Cl)Cl.S.S
InChIInChI=1S/C17H20FN3O.C12H8ClFN2O.C6H3Cl2NO.C6H4ClNO2.C6H6FN.C4H11NO.Cl2OS.2H2S/c1-2-3-4-11-19-16-10-5-13(12-20-16)17(22)21-15-8-6-14(18)7-9-15;13-11-6-1-8(7-15-11)12(17)16-10-4-2-9(14)3-5-10;7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;7-5-1-3-6(8)4-2-5;1-6-4-2-3-5;1-4(2)3;;/h5-10,12H,2-4,11H2,1H3,(H,19,20)(H,21,22);1-7H,(H,16,17);1-3H;1-3H,(H,9,10);1-4H,8H2;2-5H2,1H3;;2*1H2
InChIKeyHOHKCRZBIJMUMZ-UHFFFAOYSA-N
XLogP13.41
TPSA254.50 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001272.98
LogP ≤ 513.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride with MolForge

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Related Compounds

6-[[6-[(4-Chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 157185311
lithium;5-chloro-N-[5-[1-[(4,4-difluorocyclohexyl)carbamoyl]cyclobutyl]-2-pyridinyl]pyridine-3-carboxamide;1-[6-[(5-chloropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid;5-chloropyridine-3-carboxylic acid;4,4-difluorocyclohexan-1-amine;ethyl 1-(6-amino-3-pyridinyl)cyclobutane-1-carboxylate;ethyl 1-[6-[(5-chloropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylate;hydroxide
CID 157570684
6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 160133292
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
2-(2,6-Difluoroanilino)pyridine-3-carboxylate;tris(2-(2,6-difluoroanilino)pyridine-3-carboxylic acid);2-(2,6-difluoroanilino)pyridin-1-ium-3-carboxylic acid
CID 139144737
CID 139145275
CID 139145275
Copper;bis(2-(3-chloro-2-methylanilino)pyridine-3-carboxylate);bis(pyridine-4-carboxamide)
CID 168349842
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride?
The IUPAC name of 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride (CID 158539061) is 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride.
What is the SMILES notation for 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride?
The canonical SMILES for 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride is CCCCCNc1ccc(C(=O)Nc2ccc(F)cc2)cn1.COCCCN.Nc1ccc(F)cc1.O=C(Cl)c1ccc(Cl)nc1.O=C(Nc1ccc(F)cc1)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.O=S(Cl)Cl.S.S.
What is the InChIKey of 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride?
The InChIKey is HOHKCRZBIJMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O.C12H8ClFN2O.C6H3Cl2NO.C6H4ClNO2.C6H6FN.C4H11NO.Cl2OS.2H2S/c1-2-3-4-11-19-16-10-5-13(12-20-16)17(22)21-15-8-6-14(18)7-9-15;13-11-6-1-8(7-15-11)12(17)16-10-4-2-9(14)3-5-10;7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;7-5-1-3-6(8)4-2-5;1-6-4-2-3-5;1-4(2)3;;/h5-10,12H,2-4,11H2,1H3,(H,19,20)(H,21,22);1-7H,(H,16,17);1-3H;1-3H,(H,9,10);1-4H,8H2;2-5H2,1H3;;2*1H2.
What are the key properties of 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride?
6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride has a molecular weight of 1272.98 g/mol, XLogP of 13.41, 14 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride is sourced from PubChem (CID 158539061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).