3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide

C18H22N2O — CID 138492197

IUPAC3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide
SMILESCC(C)c1cncc(CNC(=O)CCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14(2)17-10-16(11-19-13-17)12-20-18(21)9-8-15-6-4-3-5-7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyBIQNSOVUJHAWJG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.45
Rot. Bonds6

About 3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide

3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide (PubChem CID 138492197) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide
PubChem CID138492197
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide
SMILESCC(C)c1cncc(CNC(=O)CCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14(2)17-10-16(11-19-13-17)12-20-18(21)9-8-15-6-4-3-5-7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyBIQNSOVUJHAWJG-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-phenyl-N-(3-propan-2-ylphenyl)propanamide
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3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide
CID 122160679
N-[[4-(bromomethyl)phenyl]methyl]-3-phenylpropanamide
CID 107233854
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide (CID 138492197) is 3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide is CC(C)c1cncc(CNC(=O)CCc2ccccc2)c1.
What is the InChIKey of 3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is BIQNSOVUJHAWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(2)17-10-16(11-19-13-17)12-20-18(21)9-8-15-6-4-3-5-7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,20,21).
What are the key properties of 3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide?
3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 138492197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).