N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide

C16H17N3O — CID 109224233

IUPACN-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C16H17N3O/c1-3-8-18-14-9-13(10-17-11-14)16(20)19-15-7-5-4-6-12(15)2/h3-7,9-11,18H,1,8H2,2H3,(H,19,20)
InChIKeyAEGTZYFOGVTVJV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.24
Rot. Bonds5

About N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide

N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (PubChem CID 109224233) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
PubChem CID109224233
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C16H17N3O/c1-3-8-18-14-9-13(10-17-11-14)16(20)19-15-7-5-4-6-12(15)2/h3-7,9-11,18H,1,8H2,2H3,(H,19,20)
InChIKeyAEGTZYFOGVTVJV-UHFFFAOYSA-N
XLogP3.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.24
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-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101805
N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224263
5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224282
N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224241
N-(3-bromo-4-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224270
5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224323
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (CID 109224233) is N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is C=CCNc1cncc(C(=O)Nc2ccccc2C)c1.
What is the InChIKey of N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The InChIKey is AEGTZYFOGVTVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-8-18-14-9-13(10-17-11-14)16(20)19-15-7-5-4-6-12(15)2/h3-7,9-11,18H,1,8H2,2H3,(H,19,20).
What are the key properties of N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109224233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).