2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide

C15H15ClN2O2 — CID 111472064

IUPAC2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)c1ccnc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-14-10-12(6-8-17-14)15(20)18-9-7-13(19)11-4-2-1-3-5-11/h1-6,8,10,13,19H,7,9H2,(H,18,20)
InChIKeyYNYYBVWWWUBCMD-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.59
Rot. Bonds5

About 2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide

2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide (PubChem CID 111472064) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
PubChem CID111472064
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)c1ccnc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-14-10-12(6-8-17-14)15(20)18-9-7-13(19)11-4-2-1-3-5-11/h1-6,8,10,13,19H,7,9H2,(H,18,20)
InChIKeyYNYYBVWWWUBCMD-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
4-chloro-N-(3-hydroxy-3-phenylpropyl)-3-nitrobenzamide
CID 90499571
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxybutyl]pyridine-4-carboxamide
CID 118934801
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 56805447
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide (CID 111472064) is 2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide is O=C(NCCC(O)c1ccccc1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide?
The InChIKey is YNYYBVWWWUBCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-14-10-12(6-8-17-14)15(20)18-9-7-13(19)11-4-2-1-3-5-11/h1-6,8,10,13,19H,7,9H2,(H,18,20).
What are the key properties of 2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide?
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 111472064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).