6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide

C19H22ClN3O2 — CID 109099370

IUPAC6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cccc(C(=O)NCCC(C)C)n1
InChIInChI=1S/C19H22ClN3O2/c1-12(2)9-10-21-18(24)16-5-4-6-17(22-16)19(25)23-15-8-7-14(20)11-13(15)3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyLVDAVPWWYISLHW-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.07
Rot. Bonds6

About 6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide

6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide (PubChem CID 109099370) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
PubChem CID109099370
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cccc(C(=O)NCCC(C)C)n1
InChIInChI=1S/C19H22ClN3O2/c1-12(2)9-10-21-18(24)16-5-4-6-17(22-16)19(25)23-15-8-7-14(20)11-13(15)3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyLVDAVPWWYISLHW-UHFFFAOYSA-N
XLogP4.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(5-chloro-2-methoxyphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099375
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
6-N-(4-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097465
6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099391
N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184
6-N-(5-chloro-2-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096365
6-N-(4-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100888
6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094353
2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333289
N-(4-chloro-2-methylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032034
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide (CID 109099370) is 6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)c1cccc(C(=O)NCCC(C)C)n1.
What is the InChIKey of 6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The InChIKey is LVDAVPWWYISLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-12(2)9-10-21-18(24)16-5-4-6-17(22-16)19(25)23-15-8-7-14(20)11-13(15)3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H,23,25).
What are the key properties of 6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide has a molecular weight of 359.86 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).