N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C16H14N2O2 — CID 62958951

IUPACN-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(C#CCO)cn1
InChIInChI=1S/C16H14N2O2/c19-10-4-7-14-8-9-15(17-11-14)16(20)18-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,19H,10,12H2,(H,18,20)
InChIKeyJXIMBCCKSZOWCT-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.36
Rot. Bonds3

About N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 62958951) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID62958951
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(C#CCO)cn1
InChIInChI=1S/C16H14N2O2/c19-10-4-7-14-8-9-15(17-11-14)16(20)18-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,19H,10,12H2,(H,18,20)
InChIKeyJXIMBCCKSZOWCT-UHFFFAOYSA-N
XLogP1.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.36
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

5-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62959335
5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 62959360
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
CID 64525937
5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62958804
5-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227424
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 79230873
5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960751
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide
CID 62958249
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62959712
N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 102922411
N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60817211

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 62958951) is N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is O=C(NCc1ccccc1)c1ccc(C#CCO)cn1.
What is the InChIKey of N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is JXIMBCCKSZOWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-10-4-7-14-8-9-15(17-11-14)16(20)18-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,19H,10,12H2,(H,18,20).
What are the key properties of N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 62958951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).