N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide

C13H16N4O — CID 35520715

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide
SMILESCc1nn(C)cc1CN(C)C(=O)c1ccncc1
InChIInChI=1S/C13H16N4O/c1-10-12(9-17(3)15-10)8-16(2)13(18)11-4-6-14-7-5-11/h4-7,9H,8H2,1-3H3
InChIKeyLZXPMWAPEGWALZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.40
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 35520715) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID35520715
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide
SMILESCc1nn(C)cc1CN(C)C(=O)c1ccncc1
InChIInChI=1S/C13H16N4O/c1-10-12(9-17(3)15-10)8-16(2)13(18)11-4-6-14-7-5-11/h4-7,9H,8H2,1-3H3
InChIKeyLZXPMWAPEGWALZ-UHFFFAOYSA-N
XLogP1.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide (CID 35520715) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide is Cc1nn(C)cc1CN(C)C(=O)c1ccncc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is LZXPMWAPEGWALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-12(9-17(3)15-10)8-16(2)13(18)11-4-6-14-7-5-11/h4-7,9H,8H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 35520715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).