6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide

C16H21N5O — CID 133444836

IUPAC6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCc2cn(C)nc2CC)nc1
InChIInChI=1S/C16H21N5O/c1-4-8-17-16(22)12-6-7-15(18-9-12)19-10-13-11-21(3)20-14(13)5-2/h4,6-7,9,11H,1,5,8,10H2,2-3H3,(H,17,22)(H,18,19)
InChIKeyMDXWDKNXYBUCAP-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.91
Rot. Bonds7

About 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide

6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133444836) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133444836
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCc2cn(C)nc2CC)nc1
InChIInChI=1S/C16H21N5O/c1-4-8-17-16(22)12-6-7-15(18-9-12)19-10-13-11-21(3)20-14(13)5-2/h4,6-7,9,11H,1,5,8,10H2,2-3H3,(H,17,22)(H,18,19)
InChIKeyMDXWDKNXYBUCAP-UHFFFAOYSA-N
XLogP1.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.91
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-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 115888757
ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 115888256
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 112672189
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133444838
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133345456
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 112670129
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpyridin-2-amine
CID 115886989

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide (CID 133444836) is 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NCc2cn(C)nc2CC)nc1.
What is the InChIKey of 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is MDXWDKNXYBUCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-8-17-16(22)12-6-7-15(18-9-12)19-10-13-11-21(3)20-14(13)5-2/h4,6-7,9,11H,1,5,8,10H2,2-3H3,(H,17,22)(H,18,19).
What are the key properties of 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133444836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).