5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide

C18H21N3O — CID 109224053

IUPAC5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(Nc2ccccc2C(C)C)c1
InChIInChI=1S/C18H21N3O/c1-4-9-20-18(22)14-10-15(12-19-11-14)21-17-8-6-5-7-16(17)13(2)3/h4-8,10-13,21H,1,9H2,2-3H3,(H,20,22)
InChIKeyCEDHNDSYABFXBG-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.86
Rot. Bonds6

About 5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide

5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 109224053) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID109224053
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(Nc2ccccc2C(C)C)c1
InChIInChI=1S/C18H21N3O/c1-4-9-20-18(22)14-10-15(12-19-11-14)21-17-8-6-5-7-16(17)13(2)3/h4-8,10-13,21H,1,9H2,2-3H3,(H,20,22)
InChIKeyCEDHNDSYABFXBG-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

5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
CID 109222867
5-anilino-N-prop-2-enylpyridine-3-carboxamide
CID 109224036
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243797
4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202178
N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109232282
N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109223659
5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224039
N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109239521
5-(2-bromo-4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224111
5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101805
N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109237659
5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243758

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide (CID 109224053) is 5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cncc(Nc2ccccc2C(C)C)c1.
What is the InChIKey of 5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is CEDHNDSYABFXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-9-20-18(22)14-10-15(12-19-11-14)21-17-8-6-5-7-16(17)13(2)3/h4-8,10-13,21H,1,9H2,2-3H3,(H,20,22).
What are the key properties of 5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide?
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-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 5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 109224053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).