2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide

C16H17ClN2O — CID 167839767

IUPAC2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide
SMILESCc1cnccc1CNC(=O)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-9-18-7-6-14(11)10-19-16(20)12(2)13-4-3-5-15(17)8-13/h3-9,12H,10H2,1-2H3,(H,19,20)
InChIKeyYCVGVVVUHFUZIQ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide

2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide (PubChem CID 167839767) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide
PubChem CID167839767
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide
SMILESCc1cnccc1CNC(=O)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-9-18-7-6-14(11)10-19-16(20)12(2)13-4-3-5-15(17)8-13/h3-9,12H,10H2,1-2H3,(H,19,20)
InChIKeyYCVGVVVUHFUZIQ-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421
N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119385148
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
5-chloro-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701870
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 107472817
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
CID 104941410
2-amino-3-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698206
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
CID 171523645

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide (CID 167839767) is 2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide is Cc1cnccc1CNC(=O)C(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide?
The InChIKey is YCVGVVVUHFUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-9-18-7-6-14(11)10-19-16(20)12(2)13-4-3-5-15(17)8-13/h3-9,12H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide?
2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide has a molecular weight of 288.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 167839767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).