N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide

C17H20ClN3O — CID 109203069

IUPACN-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCC(C)CNc1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN3O/c1-12(2)10-20-15-7-8-19-16(9-15)17(22)21-11-13-3-5-14(18)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyTWDMYLAWRLPVOX-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.73
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide

N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 109203069) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID109203069
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCC(C)CNc1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN3O/c1-12(2)10-20-15-7-8-19-16(9-15)17(22)21-11-13-3-5-14(18)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyTWDMYLAWRLPVOX-UHFFFAOYSA-N
XLogP3.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201908
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203048
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094411
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202931

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide (CID 109203069) is N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide is CC(C)CNc1ccnc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is TWDMYLAWRLPVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12(2)10-20-15-7-8-19-16(9-15)17(22)21-11-13-3-5-14(18)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109203069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).