N-(1-phenylheptyl)pyridine-3-carboxamide

C19H24N2O — CID 54544628

IUPACN-(1-phenylheptyl)pyridine-3-carboxamide
SMILESCCCCCCC(NC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-2-3-4-8-13-18(16-10-6-5-7-11-16)21-19(22)17-12-9-14-20-15-17/h5-7,9-12,14-15,18H,2-4,8,13H2,1H3,(H,21,22)
InChIKeyZFQYVYTZPJERTQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.52
Rot. Bonds8

About N-(1-phenylheptyl)pyridine-3-carboxamide

N-(1-phenylheptyl)pyridine-3-carboxamide (PubChem CID 54544628) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(1-phenylheptyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylheptyl)pyridine-3-carboxamide
PubChem CID54544628
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-(1-phenylheptyl)pyridine-3-carboxamide
SMILESCCCCCCC(NC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-2-3-4-8-13-18(16-10-6-5-7-11-16)21-19(22)17-12-9-14-20-15-17/h5-7,9-12,14-15,18H,2-4,8,13H2,1H3,(H,21,22)
InChIKeyZFQYVYTZPJERTQ-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
1-phenyloctylcarbamic acid
CID 90271204
1-phenylnonylcarbamic acid
CID 67252081
1-phenylhexylcarbamic acid
CID 21477897
1-pyridin-3-yldecylhydrazine
CID 105196150
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019
3-(1-benzamidoheptyl)-5-hydroxybenzoic acid
CID 175424795
3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
CID 125447618
N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide
CID 97247823

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylheptyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-phenylheptyl)pyridine-3-carboxamide (CID 54544628) is N-(1-phenylheptyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-phenylheptyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-phenylheptyl)pyridine-3-carboxamide is CCCCCCC(NC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of N-(1-phenylheptyl)pyridine-3-carboxamide?
The InChIKey is ZFQYVYTZPJERTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-3-4-8-13-18(16-10-6-5-7-11-16)21-19(22)17-12-9-14-20-15-17/h5-7,9-12,14-15,18H,2-4,8,13H2,1H3,(H,21,22).
What are the key properties of N-(1-phenylheptyl)pyridine-3-carboxamide?
N-(1-phenylheptyl)pyridine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylheptyl)pyridine-3-carboxamide is sourced from PubChem (CID 54544628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).