2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide

C15H15ClN2O — CID 46520684

IUPAC2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-11(12-5-3-2-4-6-12)10-18-15(19)13-7-8-17-14(16)9-13/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyPRIZXAXMDISXST-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.27
Rot. Bonds4

About 2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide

2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide (PubChem CID 46520684) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
PubChem CID46520684
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-11(12-5-3-2-4-6-12)10-18-15(19)13-7-8-17-14(16)9-13/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyPRIZXAXMDISXST-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 115601161
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 51111727
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide
CID 106754192
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
N-[2-(4-phenylphenyl)propyl]pyridine-4-carboxamide
CID 59093479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide (CID 46520684) is 2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide is CC(CNC(=O)c1ccnc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide?
The InChIKey is PRIZXAXMDISXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11(12-5-3-2-4-6-12)10-18-15(19)13-7-8-17-14(16)9-13/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide?
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 46520684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).