N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide

C18H21N3O — CID 109180529

IUPACN-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccccc2C(C)C)nc1
InChIInChI=1S/C18H21N3O/c1-4-11-19-14-9-10-17(20-12-14)18(22)21-16-8-6-5-7-15(16)13(2)3/h4-10,12-13,19H,1,11H2,2-3H3,(H,21,22)
InChIKeyRLKIRPKHGIJQGJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.06
Rot. Bonds6

About N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide

N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109180529) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109180529
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccccc2C(C)C)nc1
InChIInChI=1S/C18H21N3O/c1-4-11-19-14-9-10-17(20-12-14)18(22)21-16-8-6-5-7-15(16)13(2)3/h4-10,12-13,19H,1,11H2,2-3H3,(H,21,22)
InChIKeyRLKIRPKHGIJQGJ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109191897
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109188310
N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180597
5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 63724718
N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180426
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198658
5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109196630
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109287909
N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180618
N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180619

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide (CID 109180529) is N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccc(C(=O)Nc2ccccc2C(C)C)nc1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is RLKIRPKHGIJQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-11-19-14-9-10-17(20-12-14)18(22)21-16-8-6-5-7-15(16)13(2)3/h4-10,12-13,19H,1,11H2,2-3H3,(H,21,22).
What are the key properties of N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).