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

C17H20ClN3O — CID 129316266

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3O/c1-12(2)21-16-15(7-4-9-19-16)17(22)20-10-8-13-5-3-6-14(18)11-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUJHNOKIMSCXAQX-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.53
Rot. Bonds6

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

N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 129316266) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID129316266
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3O/c1-12(2)21-16-15(7-4-9-19-16)17(22)20-10-8-13-5-3-6-14(18)11-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUJHNOKIMSCXAQX-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-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179720
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 53271007
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide
CID 39932239
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 9013807
N-[2-(3-methoxyphenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 107856315
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
N-(2-hydroxy-2,3-dimethylbutyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111483935

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide (CID 129316266) is N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ncccc1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is UJHNOKIMSCXAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12(2)21-16-15(7-4-9-19-16)17(22)20-10-8-13-5-3-6-14(18)11-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(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-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 129316266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).