N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide

C17H20ClN3O — CID 109223411

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cncc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN3O/c1-12(2)21-16-9-14(10-19-11-16)17(22)20-8-7-13-3-5-15(18)6-4-13/h3-6,9-12,21H,7-8H2,1-2H3,(H,20,22)
InChIKeyNRWWBFATUMKPPI-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 109223411) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID109223411
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cncc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN3O/c1-12(2)21-16-9-14(10-19-11-16)17(22)20-8-7-13-3-5-15(18)6-4-13/h3-6,9-12,21H,7-8H2,1-2H3,(H,20,22)
InChIKeyNRWWBFATUMKPPI-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237784
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109237830
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595
N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228950
N-[2-(cyclohexen-1-yl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223365
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596
5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232774
N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239903
N-(2,4-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223536
N-(2,5-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223537

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide (CID 109223411) is N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cncc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is NRWWBFATUMKPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12(2)21-16-9-14(10-19-11-16)17(22)20-8-7-13-3-5-15(18)6-4-13/h3-6,9-12,21H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109223411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).