2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide

C18H19N3O2 — CID 109078888

IUPAC2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C18H19N3O2/c1-4-8-20-17(22)14-7-9-19-16(11-14)18(23)21-15-10-12(2)5-6-13(15)3/h4-7,9-11H,1,8H2,2-3H3,(H,20,22)(H,21,23)
InChIKeyAMBDPGJZUYAKCX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.87
Rot. Bonds5

About 2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide

2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109078888) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109078888
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C18H19N3O2/c1-4-8-20-17(22)14-7-9-19-16(11-14)18(23)21-15-10-12(2)5-6-13(15)3/h4-7,9-11H,1,8H2,2-3H3,(H,20,22)(H,21,23)
InChIKeyAMBDPGJZUYAKCX-UHFFFAOYSA-N
XLogP2.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.87
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-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079081
2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078911
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109083926
2-N-(2,5-dimethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085714
4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082390
4-N-(2,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085961
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816
2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083747
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079060
2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085897
2-N-(2,4-difluorophenyl)-4-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091819

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109078888) is 2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1ccnc(C(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of 2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is AMBDPGJZUYAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-8-20-17(22)14-7-9-19-16(11-14)18(23)21-15-10-12(2)5-6-13(15)3/h4-7,9-11H,1,8H2,2-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).