6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide

C13H16N4O — CID 38018717

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C13H16N4O/c1-4-14-13(18)11-5-6-12(15-8-11)17-10(3)7-9(2)16-17/h5-8H,4H2,1-3H3,(H,14,18)
InChIKeyYHNHZVXTXLYOTN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.63
Rot. Bonds3

About 6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide (PubChem CID 38018717) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide
PubChem CID38018717
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C13H16N4O/c1-4-14-13(18)11-5-6-12(15-8-11)17-10(3)7-9(2)16-17/h5-8H,4H2,1-3H3,(H,14,18)
InChIKeyYHNHZVXTXLYOTN-UHFFFAOYSA-N
XLogP1.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide (CID 38018717) is 6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide?
The InChIKey is YHNHZVXTXLYOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-4-14-13(18)11-5-6-12(15-8-11)17-10(3)7-9(2)16-17/h5-8H,4H2,1-3H3,(H,14,18).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 38018717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).