2-phenyl-N-pyridin-1-ium-4-ylbutanamide

C15H17N2O+ — CID 3621180

IUPAC2-phenyl-N-pyridin-1-ium-4-ylbutanamide
SMILESCCC(C(=O)Nc1cc[nH+]cc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)/p+1
InChIKeyMODBYAQUXXEFRM-UHFFFAOYSA-O
MW241.31 g/mol
LogP2.63
Rot. Bonds4

About 2-phenyl-N-pyridin-1-ium-4-ylbutanamide

2-phenyl-N-pyridin-1-ium-4-ylbutanamide (PubChem CID 3621180) has the molecular formula C15H17N2O+ and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-phenyl-N-pyridin-1-ium-4-ylbutanamide.

Molecular Properties

Compound Name2-phenyl-N-pyridin-1-ium-4-ylbutanamide
PubChem CID3621180
Molecular FormulaC15H17N2O+
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name2-phenyl-N-pyridin-1-ium-4-ylbutanamide
SMILESCCC(C(=O)Nc1cc[nH+]cc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)/p+1
InChIKeyMODBYAQUXXEFRM-UHFFFAOYSA-O
XLogP2.63
TPSA43.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
CID 6955755
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-pyridin-1-ium-4-ylbutanamide?
The IUPAC name of 2-phenyl-N-pyridin-1-ium-4-ylbutanamide (CID 3621180) is 2-phenyl-N-pyridin-1-ium-4-ylbutanamide.
What is the SMILES notation for 2-phenyl-N-pyridin-1-ium-4-ylbutanamide?
The canonical SMILES for 2-phenyl-N-pyridin-1-ium-4-ylbutanamide is CCC(C(=O)Nc1cc[nH+]cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-pyridin-1-ium-4-ylbutanamide?
The InChIKey is MODBYAQUXXEFRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)/p+1.
What are the key properties of 2-phenyl-N-pyridin-1-ium-4-ylbutanamide?
2-phenyl-N-pyridin-1-ium-4-ylbutanamide has a molecular weight of 241.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-pyridin-1-ium-4-ylbutanamide is sourced from PubChem (CID 3621180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).