4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide

C16H17ClN2O — CID 47245712

IUPAC4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
SMILESCc1ccnc(NC(=O)CCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O/c1-12-9-10-18-15(11-12)19-16(20)4-2-3-13-5-7-14(17)8-6-13/h5-11H,2-4H2,1H3,(H,18,19,20)
InChIKeyLGFGNTOALSBAEO-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.00
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide

4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide (PubChem CID 47245712) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
PubChem CID47245712
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
SMILESCc1ccnc(NC(=O)CCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O/c1-12-9-10-18-15(11-12)19-16(20)4-2-3-13-5-7-14(17)8-6-13/h5-11H,2-4H2,1H3,(H,18,19,20)
InChIKeyLGFGNTOALSBAEO-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

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Related Compounds

1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930872
2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17434255
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
CID 78888932
4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 51188569
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47242346
6-acetamido-N-(4-methyl-2-pyridinyl)hexanamide
CID 47110680
N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide
CID 4630518
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 9453893

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide (CID 47245712) is 4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide is Cc1ccnc(NC(=O)CCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide?
The InChIKey is LGFGNTOALSBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12-9-10-18-15(11-12)19-16(20)4-2-3-13-5-7-14(17)8-6-13/h5-11H,2-4H2,1H3,(H,18,19,20).
What are the key properties of 4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide?
4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide 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 4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 47245712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).