4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide

C17H19N3O — CID 109202174

IUPAC4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccccc2CC)ccn1
InChIInChI=1S/C17H19N3O/c1-3-10-19-17(21)16-12-14(9-11-18-16)20-15-8-6-5-7-13(15)4-2/h3,5-9,11-12H,1,4,10H2,2H3,(H,18,20)(H,19,21)
InChIKeyQHCHPKQFPARBQY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.30
Rot. Bonds6

About 4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide

4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109202174) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109202174
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccccc2CC)ccn1
InChIInChI=1S/C17H19N3O/c1-3-10-19-17(21)16-12-14(9-11-18-16)20-15-8-6-5-7-13(15)4-2/h3,5-9,11-12H,1,4,10H2,2H3,(H,18,20)(H,19,21)
InChIKeyQHCHPKQFPARBQY-UHFFFAOYSA-N
XLogP3.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202178
N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109202242
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
4-(2-ethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214285
4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109216750
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202076
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
N-(2,5-dimethoxyphenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220169
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109220139
4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202165

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide (CID 109202174) is 4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1cc(Nc2ccccc2CC)ccn1.
What is the InChIKey of 4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is QHCHPKQFPARBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-10-19-17(21)16-12-14(9-11-18-16)20-15-8-6-5-7-13(15)4-2/h3,5-9,11-12H,1,4,10H2,2H3,(H,18,20)(H,19,21).
What are the key properties of 4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide?
4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109202174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).