6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide

C14H16N4O — CID 39892830

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C14H16N4O/c1-4-7-15-14(19)12-5-6-13(16-9-12)18-11(3)8-10(2)17-18/h4-6,8-9H,1,7H2,2-3H3,(H,15,19)
InChIKeyBEOJNYBSJAHXRF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.80
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 39892830) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID39892830
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C14H16N4O/c1-4-7-15-14(19)12-5-6-13(16-9-12)18-11(3)8-10(2)17-18/h4-6,8-9H,1,7H2,2-3H3,(H,15,19)
InChIKeyBEOJNYBSJAHXRF-UHFFFAOYSA-N
XLogP1.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide (CID 39892830) is 6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is BEOJNYBSJAHXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-4-7-15-14(19)12-5-6-13(16-9-12)18-11(3)8-10(2)17-18/h4-6,8-9H,1,7H2,2-3H3,(H,15,19).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.80, 4 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-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 39892830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).