4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide

C18H21N3O — CID 109202178

IUPAC4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccccc2C(C)C)ccn1
InChIInChI=1S/C18H21N3O/c1-4-10-20-18(22)17-12-14(9-11-19-17)21-16-8-6-5-7-15(16)13(2)3/h4-9,11-13H,1,10H2,2-3H3,(H,19,21)(H,20,22)
InChIKeyYDJBEGFXJLABNU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.86
Rot. Bonds6

About 4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide

4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109202178) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109202178
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccccc2C(C)C)ccn1
InChIInChI=1S/C18H21N3O/c1-4-10-20-18(22)17-12-14(9-11-19-17)21-16-8-6-5-7-15(16)13(2)3/h4-9,11-13H,1,10H2,2-3H3,(H,19,21)(H,20,22)
InChIKeyYDJBEGFXJLABNU-UHFFFAOYSA-N
XLogP3.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.86
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-prop-2-enylpyridine-2-carboxamide
CID 109202174
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109217303
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220437
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
N-(4-ethoxyphenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220430
N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109202242
4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202076
N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201226
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide (CID 109202178) is 4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1cc(Nc2ccccc2C(C)C)ccn1.
What is the InChIKey of 4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is YDJBEGFXJLABNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-10-20-18(22)17-12-14(9-11-19-17)21-16-8-6-5-7-15(16)13(2)3/h4-9,11-13H,1,10H2,2-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide?
4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109202178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).