5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide

C13H12N4O2 — CID 64525937

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1ccc(C#CCO)cn1
InChIInChI=1S/C13H12N4O2/c18-7-1-2-10-3-4-11(16-8-10)13(19)17-9-12-14-5-6-15-12/h3-6,8,18H,7,9H2,(H,14,15)(H,17,19)
InChIKeyYGACECNLPRJGPK-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.08
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 64525937) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
PubChem CID64525937
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1ccc(C#CCO)cn1
InChIInChI=1S/C13H12N4O2/c18-7-1-2-10-3-4-11(16-8-10)13(19)17-9-12-14-5-6-15-12/h3-6,8,18H,7,9H2,(H,14,15)(H,17,19)
InChIKeyYGACECNLPRJGPK-UHFFFAOYSA-N
XLogP0.08
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958951
5-(3-hydroxyprop-1-ynyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 64525735
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-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 62959360
5-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62959335
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
2-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-5-methylbenzamide
CID 81112972
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 106342097
5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106041923
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
CID 104628370

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide (CID 64525937) is 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ncc[nH]1)c1ccc(C#CCO)cn1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YGACECNLPRJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-7-1-2-10-3-4-11(16-8-10)13(19)17-9-12-14-5-6-15-12/h3-6,8,18H,7,9H2,(H,14,15)(H,17,19).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 64525937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).