6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide

C17H23N5O — CID 75374086

IUPAC6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(C)Cn2nc(C)cc2C)nc1
InChIInChI=1S/C17H23N5O/c1-5-8-18-17(23)15-6-7-16(19-10-15)20-13(3)11-22-14(4)9-12(2)21-22/h5-7,9-10,13H,1,8,11H2,2-4H3,(H,18,23)(H,19,20)
InChIKeyNKAJRVQUTZYWPQ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.31
Rot. Bonds7

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

6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 75374086) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID75374086
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(C)Cn2nc(C)cc2C)nc1
InChIInChI=1S/C17H23N5O/c1-5-8-18-17(23)15-6-7-16(19-10-15)20-13(3)11-22-14(4)9-12(2)21-22/h5-7,9-10,13H,1,8,11H2,2-4H3,(H,18,23)(H,19,20)
InChIKeyNKAJRVQUTZYWPQ-UHFFFAOYSA-N
XLogP2.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133346231
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133454326
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94031928
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133350466
6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95722888
6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133444836
6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97017820
6-[[3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 71875696

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide (CID 75374086) is 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NC(C)Cn2nc(C)cc2C)nc1.
What is the InChIKey of 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is NKAJRVQUTZYWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-5-8-18-17(23)15-6-7-16(19-10-15)20-13(3)11-22-14(4)9-12(2)21-22/h5-7,9-10,13H,1,8,11H2,2-4H3,(H,18,23)(H,19,20).
What are the key properties of 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide?
6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 75374086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).