5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride

C20H23Cl3N4O — CID 155212074

IUPAC5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride
SMILESCNc1c(C=C2CCNCC2)cc(Cl)cc1NC(=O)c1cnc(C)c(Cl)c1.Cl
InChIInChI=1S/C20H22Cl2N4O.ClH/c1-12-17(22)9-15(11-25-12)20(27)26-18-10-16(21)8-14(19(18)23-2)7-13-3-5-24-6-4-13;/h7-11,23-24H,3-6H2,1-2H3,(H,26,27);1H
InChIKeyGUGQSFDTPJFZGB-UHFFFAOYSA-N
MW441.79 g/mol
LogP5.18
Rot. Bonds4

About 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride

5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride (PubChem CID 155212074) has the molecular formula C20H23Cl3N4O and a molecular weight of 441.79 g/mol. Its IUPAC name is 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride
PubChem CID155212074
Molecular FormulaC20H23Cl3N4O
Molecular Weight441.79 g/mol
Exact Mass440.09
IUPAC Name5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride
SMILESCNc1c(C=C2CCNCC2)cc(Cl)cc1NC(=O)c1cnc(C)c(Cl)c1.Cl
InChIInChI=1S/C20H22Cl2N4O.ClH/c1-12-17(22)9-15(11-25-12)20(27)26-18-10-16(21)8-14(19(18)23-2)7-13-3-5-24-6-4-13;/h7-11,23-24H,3-6H2,1-2H3,(H,26,27);1H
InChIKeyGUGQSFDTPJFZGB-UHFFFAOYSA-N
XLogP5.18
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
CID 155227931
5-chloro-N-[3-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 155212140
5-chloro-N-[2-[[1-(2-cyclopropylacetyl)piperidin-4-ylidene]methyl]-4-fluoro-6-methylphenyl]-6-methylpyridine-3-carboxamide
CID 158232918
N-[5-chloro-3-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
CID 175060337
N-[4-chloro-2-[[1-(2-cyclobutylacetyl)piperidin-4-ylidene]methyl]-6-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
CID 157459613
2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 118541226
N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyanopyridine-3-carboxamide
CID 155228058
5-chloro-N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62172945
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
5-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167429
5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166490
N-(5-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042675

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride (CID 155212074) is 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride is CNc1c(C=C2CCNCC2)cc(Cl)cc1NC(=O)c1cnc(C)c(Cl)c1.Cl.
What is the InChIKey of 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride?
The InChIKey is GUGQSFDTPJFZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O.ClH/c1-12-17(22)9-15(11-25-12)20(27)26-18-10-16(21)8-14(19(18)23-2)7-13-3-5-24-6-4-13;/h7-11,23-24H,3-6H2,1-2H3,(H,26,27);1H.
What are the key properties of 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride?
5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride has a molecular weight of 441.79 g/mol, XLogP of 5.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-chloro-2-(methylamino)-3-(piperidin-4-ylidenemethyl)phenyl]-6-methylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 155212074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).