N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide

C19H24N2O2 — CID 110610135

IUPACN-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide
SMILESCOCCCCNC(=O)C(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-23-13-6-5-12-21-19(22)18(17-9-3-2-4-10-17)14-16-8-7-11-20-15-16/h2-4,7-11,15,18H,5-6,12-14H2,1H3,(H,21,22)
InChIKeyUBPAEYRFFNQFCB-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.95
Rot. Bonds9

About N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide

N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide (PubChem CID 110610135) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide
PubChem CID110610135
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide
SMILESCOCCCCNC(=O)C(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-23-13-6-5-12-21-19(22)18(17-9-3-2-4-10-17)14-16-8-7-11-20-15-16/h2-4,7-11,15,18H,5-6,12-14H2,1H3,(H,21,22)
InChIKeyUBPAEYRFFNQFCB-UHFFFAOYSA-N
XLogP2.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
N-(2-phenoxyethoxy)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110632945
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110627067
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110630506
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110632380
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
N-(2,5-dimethoxyphenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110422839
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
CID 119308000

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide (CID 110610135) is N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide is COCCCCNC(=O)C(Cc1cccnc1)c1ccccc1.
What is the InChIKey of N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide?
The InChIKey is UBPAEYRFFNQFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-23-13-6-5-12-21-19(22)18(17-9-3-2-4-10-17)14-16-8-7-11-20-15-16/h2-4,7-11,15,18H,5-6,12-14H2,1H3,(H,21,22).
What are the key properties of N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide?
N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110610135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).