2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide

C18H19N3O2 — CID 109078816

IUPAC2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C18H19N3O2/c1-3-8-20-17(22)15-7-9-19-16(11-15)18(23)21-12-14-6-4-5-13(2)10-14/h3-7,9-11H,1,8,12H2,2H3,(H,20,22)(H,21,23)
InChIKeyKPLHOAUXIMVVBK-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.24
Rot. Bonds6

About 2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide

2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109078816) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109078816
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C18H19N3O2/c1-3-8-20-17(22)15-7-9-19-16(11-15)18(23)21-12-14-6-4-5-13(2)10-14/h3-7,9-11H,1,8,12H2,2H3,(H,20,22)(H,21,23)
InChIKeyKPLHOAUXIMVVBK-UHFFFAOYSA-N
XLogP2.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.24
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

4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
4-N-[3-(dimethylamino)propyl]-2-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083872
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
2-N-(2,5-dimethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085714
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984
2-N-(2-ethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085719
4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085775
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078888
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109078816) is 2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1ccnc(C(=O)NCc2cccc(C)c2)c1.
What is the InChIKey of 2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is KPLHOAUXIMVVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-8-20-17(22)15-7-9-19-16(11-15)18(23)21-12-14-6-4-5-13(2)10-14/h3-7,9-11H,1,8,12H2,2H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).