(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide

C19H25N2O+ — CID 8877985

IUPAC(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide
SMILESCCC(CC)c1cc[n+]([C@H](C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-4-16(5-2)17-11-13-21(14-12-17)15(3)19(22)20-18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3/p+1/t15-/m1/s1
InChIKeyXCNUABDGEQHLSK-OAHLLOKOSA-O
MW297.42 g/mol
LogP4.08
Rot. Bonds6

About (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide

(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide (PubChem CID 8877985) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide
PubChem CID8877985
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Name(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide
SMILESCCC(CC)c1cc[n+]([C@H](C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-4-16(5-2)17-11-13-21(14-12-17)15(3)19(22)20-18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3/p+1/t15-/m1/s1
InChIKeyXCNUABDGEQHLSK-OAHLLOKOSA-O
XLogP4.08
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-bromophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide
CID 8877925
(2S)-N-(4-fluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide
CID 8878012
(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 8878010
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide
CID 8877982
(2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
CID 8827101
(2S)-2-(3-acetylpyridin-1-ium-1-yl)-N-phenylpropanamide
CID 8830820
(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide
CID 8717742
(2S)-N-(3-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
CID 8827056
2-methyl-N-phenylpentanamide
CID 4627801
N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878092
N-(3-acetylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878078
3-anilino-2-butan-2-yloxycarbonyl-3-oxopropanoic acid
CID 70432085

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide?
The IUPAC name of (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide (CID 8877985) is (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide is CCC(CC)c1cc[n+]([C@H](C)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide?
The InChIKey is XCNUABDGEQHLSK-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H24N2O/c1-4-16(5-2)17-11-13-21(14-12-17)15(3)19(22)20-18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3/p+1/t15-/m1/s1.
What are the key properties of (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide?
(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide has a molecular weight of 297.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 8877985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).