N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide

C14H14N2O2 — CID 39346455

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
SMILESC1=CC=C(C=C1)[C@@H](CO)NC(=O)C2=CN=CC=C2
InChIInChI=1S/C14H14N2O2/c17-10-13(11-5-2-1-3-6-11)16-14(18)12-7-4-8-15-9-12/h1-9,13,17H,10H2,(H,16,18)/t13-/m1/s1
InChIKeyGVAGXQABWQYMQS-CYBMUJFWSA-N
MW242.27 g/mol
LogP1.00
Rot. Bonds4

About N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 39346455) has the molecular formula C14H14N2O2 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
PubChem CID39346455
Molecular FormulaC14H14N2O2
Molecular Weight242.27 g/mol
Exact Mass242.11
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
SMILESC1=CC=C(C=C1)[C@@H](CO)NC(=O)C2=CN=CC=C2
InChIInChI=1S/C14H14N2O2/c17-10-13(11-5-2-1-3-6-11)16-14(18)12-7-4-8-15-9-12/h1-9,13,17H,10H2,(H,16,18)/t13-/m1/s1
InChIKeyGVAGXQABWQYMQS-CYBMUJFWSA-N
XLogP1.00
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity265

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Serdexmethylphenidate
CID 134823895
N-(Hydroxymethyl)nicotinamide
CID 77116
Nicotinanilide
CID 74463
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
Phenatine
CID 120640
Nicotinic acid benzylamide
CID 98499
N-Phenethyl-nicotinamide
CID 668779
N-(cyclohexylmethyl)nicotinamide
CID 2990659
N-(1-methyl-3-phenylpropyl)nicotinamide
CID 3246803
N-(4-methylbenzyl)nicotinamide
CID 825463
Alanine, N-(2-chloronicotinoyl)-3-phenyl-
CID 53560
N-(2-hydroxyethyl)nicotinamide
CID 72663

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide (CID 39346455) is N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide is C1=CC=C(C=C1)[C@@H](CO)NC(=O)C2=CN=CC=C2.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is GVAGXQABWQYMQS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-10-13(11-5-2-1-3-6-11)16-14(18)12-7-4-8-15-9-12/h1-9,13,17H,10H2,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 39346455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).