3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide

C18H19ClN2O — CID 122160679

IUPAC3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCc1cncc(C2CC2)c1
InChIInChI=1S/C18H19ClN2O/c19-17-3-1-2-13(9-17)4-7-18(22)21-11-14-8-16(12-20-10-14)15-5-6-15/h1-3,8-10,12,15H,4-7,11H2,(H,21,22)
InChIKeyYNIXJOSZWHMHOW-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.86
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide

3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide (PubChem CID 122160679) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide
PubChem CID122160679
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCc1cncc(C2CC2)c1
InChIInChI=1S/C18H19ClN2O/c19-17-3-1-2-13(9-17)4-7-18(22)21-11-14-8-16(12-20-10-14)15-5-6-15/h1-3,8-10,12,15H,4-7,11H2,(H,21,22)
InChIKeyYNIXJOSZWHMHOW-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91624486
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3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
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3-(3-chlorophenyl)-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]propanamide
CID 122246339
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
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3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
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3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide
CID 138492197
3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121197902
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide
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N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide (CID 122160679) is 3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide is O=C(CCc1cccc(Cl)c1)NCc1cncc(C2CC2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide?
The InChIKey is YNIXJOSZWHMHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-17-3-1-2-13(9-17)4-7-18(22)21-11-14-8-16(12-20-10-14)15-5-6-15/h1-3,8-10,12,15H,4-7,11H2,(H,21,22).
What are the key properties of 3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide?
3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide has a molecular weight of 314.82 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 122160679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).