N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide

C16H16ClN3O — CID 109224263

IUPACN-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H16ClN3O/c1-3-6-19-14-8-12(9-18-10-14)16(21)20-15-5-4-13(17)7-11(15)2/h3-5,7-10,19H,1,6H2,2H3,(H,20,21)
InChIKeyCEJVBBQGXSHJIV-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.89
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide

N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (PubChem CID 109224263) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
PubChem CID109224263
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H16ClN3O/c1-3-6-19-14-8-12(9-18-10-14)16(21)20-15-5-4-13(17)7-11(15)2/h3-5,7-10,19H,1,6H2,2H3,(H,20,21)
InChIKeyCEJVBBQGXSHJIV-UHFFFAOYSA-N
XLogP3.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.89
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

N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224323
N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224233
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
N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236369
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224318
5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224282
N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232734
5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104343
5-N-(2,5-dichlorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101895

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (CID 109224263) is N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is C=CCNc1cncc(C(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The InChIKey is CEJVBBQGXSHJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-3-6-19-14-8-12(9-18-10-14)16(21)20-15-5-4-13(17)7-11(15)2/h3-5,7-10,19H,1,6H2,2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109224263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).