N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

C17H19Cl2N3O — CID 109195700

IUPACN-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C17H19Cl2N3O/c1-11(2)7-8-20-13-4-6-16(21-10-13)17(23)22-12-3-5-14(18)15(19)9-12/h3-6,9-11,20H,7-8H2,1-2H3,(H,22,23)
InChIKeyTXFIGKDRCRCJDK-UHFFFAOYSA-N
MW352.27 g/mol
LogP5.10
Rot. Bonds6

About N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (PubChem CID 109195700) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
PubChem CID109195700
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC NameN-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C17H19Cl2N3O/c1-11(2)7-8-20-13-4-6-16(21-10-13)17(23)22-12-3-5-14(18)15(19)9-12/h3-6,9-11,20H,7-8H2,1-2H3,(H,22,23)
InChIKeyTXFIGKDRCRCJDK-UHFFFAOYSA-N
XLogP5.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.27
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373
N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195704
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666
N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195667
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
N-(3,4-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333175
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
N-(2,6-difluorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195715
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (CID 109195700) is N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The InChIKey is TXFIGKDRCRCJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-11(2)7-8-20-13-4-6-16(21-10-13)17(23)22-12-3-5-14(18)15(19)9-12/h3-6,9-11,20H,7-8H2,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).