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

C18H20ClN3O2 — CID 109094410

IUPAC2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C18H20ClN3O2/c1-12(2)10-20-17(23)15-8-5-9-16(22-15)18(24)21-11-13-6-3-4-7-14(13)19/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQTMAJKWUQKTOJR-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.05
Rot. Bonds6

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

2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide (PubChem CID 109094410) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
PubChem CID109094410
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C18H20ClN3O2/c1-12(2)10-20-17(23)15-8-5-9-16(22-15)18(24)21-11-13-6-3-4-7-14(13)19/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQTMAJKWUQKTOJR-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-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097887
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094411
N-[(2-chlorophenyl)methyl]-6-(dimethylamino)pyridine-2-carboxamide
CID 84575011
N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109097915
6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094492
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3766569

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide (CID 109094410) is 2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide is CC(C)CNC(=O)c1cccc(C(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
The InChIKey is QTMAJKWUQKTOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(2)10-20-17(23)15-8-5-9-16(22-15)18(24)21-11-13-6-3-4-7-14(13)19/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
2-N-[(2-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-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).