N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide

C17H19N3O — CID 109224241

IUPACN-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19N3O/c1-4-7-19-16-9-14(10-18-11-16)17(21)20-15-6-5-12(2)13(3)8-15/h4-6,8-11,19H,1,7H2,2-3H3,(H,20,21)
InChIKeyOXHBVBMRNRMJLZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.55
Rot. Bonds5

About N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide

N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (PubChem CID 109224241) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
PubChem CID109224241
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19N3O/c1-4-7-19-16-9-14(10-18-11-16)17(21)20-15-6-5-12(2)13(3)8-15/h4-6,8-11,19H,1,7H2,2-3H3,(H,20,21)
InChIKeyOXHBVBMRNRMJLZ-UHFFFAOYSA-N
XLogP3.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.55
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-(3-bromo-4-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224270
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281
N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224233
N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224263
5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
5-(prop-2-enylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109224296
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224318
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224298
N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239213
5-[(3,4-dimethoxyphenyl)methylamino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109237942
N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224153

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (CID 109224241) is N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is C=CCNc1cncc(C(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The InChIKey is OXHBVBMRNRMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-7-19-16-9-14(10-18-11-16)17(21)20-15-6-5-12(2)13(3)8-15/h4-6,8-11,19H,1,7H2,2-3H3,(H,20,21).
What are the key properties of N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109224241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).