2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide

C16H14N2O2 — CID 60817021

IUPAC2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1ccccc1C#CCO
InChIInChI=1S/C16H14N2O2/c1-12-6-4-10-17-15(12)18-16(20)14-9-3-2-7-13(14)8-5-11-19/h2-4,6-7,9-10,19H,11H2,1H3,(H,17,18,20)
InChIKeyFLKBEGLITAJMHR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.99
Rot. Bonds2

About 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide

2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 60817021) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID60817021
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1ccccc1C#CCO
InChIInChI=1S/C16H14N2O2/c1-12-6-4-10-17-15(12)18-16(20)14-9-3-2-7-13(14)8-5-11-19/h2-4,6-7,9-10,19H,11H2,1H3,(H,17,18,20)
InChIKeyFLKBEGLITAJMHR-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107521173
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240557
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
2-hydrazinyl-N-(3-methyl-2-pyridinyl)benzamide
CID 62236931
N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62812600
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 55239746
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide (CID 60817021) is 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1ccccc1C#CCO.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is FLKBEGLITAJMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-6-4-10-17-15(12)18-16(20)14-9-3-2-7-13(14)8-5-11-19/h2-4,6-7,9-10,19H,11H2,1H3,(H,17,18,20).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide?
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 60817021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).