5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide

C15H16N4O2 — CID 63021060

IUPAC5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C15H16N4O2/c1-18-8-7-16-14(18)11-19(2)15(21)13-6-5-12(10-17-13)4-3-9-20/h5-8,10,20H,9,11H2,1-2H3
InChIKeyBRLPMSJEDKEPMF-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.43
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 63021060) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID63021060
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C15H16N4O2/c1-18-8-7-16-14(18)11-19(2)15(21)13-6-5-12(10-17-13)4-3-9-20/h5-8,10,20H,9,11H2,1-2H3
InChIKeyBRLPMSJEDKEPMF-UHFFFAOYSA-N
XLogP0.43
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63718606
N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 55152298
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 113383759
5-(3-hydroxyprop-1-ynyl)-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 79978062
N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 107375575
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide
CID 62958249
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106917670
5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62953000
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63706259
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66482327
N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62959141

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide (CID 63021060) is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide is CN(Cc1nccn1C)C(=O)c1ccc(C#CCO)cn1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is BRLPMSJEDKEPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-18-8-7-16-14(18)11-19(2)15(21)13-6-5-12(10-17-13)4-3-9-20/h5-8,10,20H,9,11H2,1-2H3.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 63021060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).