3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide

C16H14N2O2 — CID 23566710

IUPAC3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NCC#Cc2ccccc2)c1O
InChIInChI=1S/C16H14N2O2/c1-12-9-11-17-14(15(12)19)16(20)18-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11,19H,10H2,1H3,(H,18,20)
InChIKeyMGQGFRCNZSJIPA-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.88
Rot. Bonds2

About 3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide

3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide (PubChem CID 23566710) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
PubChem CID23566710
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NCC#Cc2ccccc2)c1O
InChIInChI=1S/C16H14N2O2/c1-12-9-11-17-14(15(12)19)16(20)18-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11,19H,10H2,1H3,(H,18,20)
InChIKeyMGQGFRCNZSJIPA-UHFFFAOYSA-N
XLogP1.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide
CID 23566888
3,6-dichloro-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
CID 47144055
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
4,5-dichloro-N-(3-phenylprop-2-ynyl)-1H-pyrrole-2-carboxamide
CID 78836902
5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide
CID 24669082
3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide
CID 51332394
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide
CID 24646797
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide
CID 86992179
4-acetyl-3,5-dimethyl-N-(3-phenylprop-2-ynyl)-1H-pyrrole-2-carboxamide
CID 51332477
2-ethylsulfonyl-N-(3-phenylprop-2-ynyl)benzamide
CID 24669076
4-nitro-N-(3-phenylprop-2-ynyl)benzamide
CID 51325780
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide (CID 23566710) is 3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide is Cc1ccnc(C(=O)NCC#Cc2ccccc2)c1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide?
The InChIKey is MGQGFRCNZSJIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-9-11-17-14(15(12)19)16(20)18-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of 3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide?
3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 23566710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).