N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

C17H19Cl2N3O — CID 109195704

IUPACN-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C17H19Cl2N3O/c1-11(2)8-9-20-12-6-7-15(21-10-12)17(23)22-16-13(18)4-3-5-14(16)19/h3-7,10-11,20H,8-9H2,1-2H3,(H,22,23)
InChIKeyIIGFWSVWVTZBON-UHFFFAOYSA-N
MW352.27 g/mol
LogP5.10
Rot. Bonds6

About N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (PubChem CID 109195704) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
PubChem CID109195704
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC NameN-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C17H19Cl2N3O/c1-11(2)8-9-20-12-6-7-15(21-10-12)17(23)22-16-13(18)4-3-5-14(16)19/h3-7,10-11,20H,8-9H2,1-2H3,(H,22,23)
InChIKeyIIGFWSVWVTZBON-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-(2,6-difluorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195715
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(2,6-dichlorophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179818
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666
N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195667
N-(2,6-dichlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 113436364
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179407
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109195683
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (CID 109195704) is N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2c(Cl)cccc2Cl)nc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The InChIKey is IIGFWSVWVTZBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-11(2)8-9-20-12-6-7-15(21-10-12)17(23)22-16-13(18)4-3-5-14(16)19/h3-7,10-11,20H,8-9H2,1-2H3,(H,22,23).
What are the key properties of N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
N-(2,6-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-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).