5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide

C17H17N3O2 — CID 109101805

IUPAC5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H17N3O2/c1-3-8-19-16(21)13-9-14(11-18-10-13)17(22)20-15-7-5-4-6-12(15)2/h3-7,9-11H,1,8H2,2H3,(H,19,21)(H,20,22)
InChIKeyCPGOFKIRLIEREH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.56
Rot. Bonds5

About 5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide

5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide (PubChem CID 109101805) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
PubChem CID109101805
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H17N3O2/c1-3-8-19-16(21)13-9-14(11-18-10-13)17(22)20-15-7-5-4-6-12(15)2/h3-7,9-11H,1,8H2,2H3,(H,19,21)(H,20,22)
InChIKeyCPGOFKIRLIEREH-UHFFFAOYSA-N
XLogP2.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.56
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-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224233
5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102183
3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107123
5-N-(2,5-dichlorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101895
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106318
2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247741
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
5-(N-ethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241654
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
5-anilino-N-prop-2-enylpyridine-3-carboxamide
CID 109224036

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide (CID 109101805) is 5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide is C=CCNC(=O)c1cncc(C(=O)Nc2ccccc2C)c1.
What is the InChIKey of 5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
The InChIKey is CPGOFKIRLIEREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-8-19-16(21)13-9-14(11-18-10-13)17(22)20-15-7-5-4-6-12(15)2/h3-7,9-11H,1,8H2,2H3,(H,19,21)(H,20,22).
What are the key properties of 5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).