N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide

C16H17ClN2O — CID 107300978

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide
SMILESCc1nc(Cl)ccc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-12-14(10-11-15(17)18-12)19-16(20)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20)
InChIKeyWJMMRVSMKDXZGP-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.00
Rot. Bonds5

About N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide

N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide (PubChem CID 107300978) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide
PubChem CID107300978
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide
SMILESCc1nc(Cl)ccc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-12-14(10-11-15(17)18-12)19-16(20)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20)
InChIKeyWJMMRVSMKDXZGP-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
CID 78883201
N-[2-(chloromethyl)phenyl]-4-phenylbutanamide
CID 114298062
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 842100
N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
CID 48980503
N-(2-methylphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030922
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
N-(5-amino-2-bromo-4-methylphenyl)-4-phenylbutanamide
CID 104814385
N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide
CID 122304278
N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide
CID 42172348
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide (CID 107300978) is N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide is Cc1nc(Cl)ccc1NC(=O)CCCc1ccccc1.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide?
The InChIKey is WJMMRVSMKDXZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12-14(10-11-15(17)18-12)19-16(20)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide?
N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide has a molecular weight of 288.78 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide is sourced from PubChem (CID 107300978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).