4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide

C12H14N4O — CID 114269658

IUPAC4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(C)nc(C(=O)NCc2ccn[nH]2)c1
InChIInChI=1S/C12H14N4O/c1-8-5-9(2)15-11(6-8)12(17)13-7-10-3-4-14-16-10/h3-6H,7H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyUMPLQAUOYZSBFF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.35
Rot. Bonds3

About 4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide

4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 114269658) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID114269658
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(C)nc(C(=O)NCc2ccn[nH]2)c1
InChIInChI=1S/C12H14N4O/c1-8-5-9(2)15-11(6-8)12(17)13-7-10-3-4-14-16-10/h3-6H,7H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyUMPLQAUOYZSBFF-UHFFFAOYSA-N
XLogP1.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide
CID 47285811
4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
CID 47235838
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51098576
4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
CID 79777719
2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
CID 60975575
4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
2-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 103764061
3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 47285902
3-amino-5-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114011349

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide (CID 114269658) is 4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide is Cc1cc(C)nc(C(=O)NCc2ccn[nH]2)c1.
What is the InChIKey of 4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is UMPLQAUOYZSBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-5-9(2)15-11(6-8)12(17)13-7-10-3-4-14-16-10/h3-6H,7H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide?
4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114269658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).