5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide

C14H14N4O2 — CID 62959360

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(C#CCO)cn2)cn1
InChIInChI=1S/C14H14N4O2/c1-18-10-12(9-17-18)8-16-14(20)13-5-4-11(7-15-13)3-2-6-19/h4-5,7,9-10,19H,6,8H2,1H3,(H,16,20)
InChIKeyAJNQSJHAKPSESS-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.09
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 62959360) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID62959360
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(C#CCO)cn2)cn1
InChIInChI=1S/C14H14N4O2/c1-18-10-12(9-17-18)8-16-14(20)13-5-4-11(7-15-13)3-2-6-19/h4-5,7,9-10,19H,6,8H2,1H3,(H,16,20)
InChIKeyAJNQSJHAKPSESS-UHFFFAOYSA-N
XLogP0.09
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62959335
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-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
CID 64525937
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 79230873
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61343888
5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 107375122
5-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227424
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169
6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
CID 62248075
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106041923

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide (CID 62959360) is 5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide is Cn1cc(CNC(=O)c2ccc(C#CCO)cn2)cn1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is AJNQSJHAKPSESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18-10-12(9-17-18)8-16-14(20)13-5-4-11(7-15-13)3-2-6-19/h4-5,7,9-10,19H,6,8H2,1H3,(H,16,20).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62959360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).