2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide

C18H20ClN3O2 — CID 109094411

IUPAC2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H20ClN3O2/c1-12(2)10-20-17(23)15-4-3-5-16(22-15)18(24)21-11-13-6-8-14(19)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIZHMUAXOFMDVFI-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.05
Rot. Bonds6

About 2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide

2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide (PubChem CID 109094411) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
PubChem CID109094411
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H20ClN3O2/c1-12(2)10-20-17(23)15-4-3-5-16(22-15)18(24)21-11-13-6-8-14(19)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIZHMUAXOFMDVFI-UHFFFAOYSA-N
XLogP3.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094492
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410
2-N-[(4-chlorophenyl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093837
2-N-[(4-chlorophenyl)methyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109097951
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067536
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
6-amino-N-[(4-propan-2-ylphenyl)methyl]pyridine-2-carboxamide
CID 62240545
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109098012

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide (CID 109094411) is 2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide is CC(C)CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
The InChIKey is IZHMUAXOFMDVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(2)10-20-17(23)15-4-3-5-16(22-15)18(24)21-11-13-6-8-14(19)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).