2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide

C17H16ClN3O2 — CID 109078911

IUPAC2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C17H16ClN3O2/c1-3-7-20-16(22)12-6-8-19-15(10-12)17(23)21-14-5-4-13(18)9-11(14)2/h3-6,8-10H,1,7H2,2H3,(H,20,22)(H,21,23)
InChIKeyBOQQUCSKNQMIAW-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.21
Rot. Bonds5

About 2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide

2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109078911) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109078911
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C17H16ClN3O2/c1-3-7-20-16(22)12-6-8-19-15(10-12)17(23)21-14-5-4-13(18)9-11(14)2/h3-6,8-10H,1,7H2,2H3,(H,20,22)(H,21,23)
InChIKeyBOQQUCSKNQMIAW-UHFFFAOYSA-N
XLogP3.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.21
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-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078888
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
2-N-(4-chloro-2-methylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085088
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080050
2-N-(4-chloro-2-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078521
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935
2-N-(4-chloro-2-methylphenyl)-4-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092943
4-N-(4-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080960
4-N-(4-chloro-2-methylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081597

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109078911) is 2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of 2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is BOQQUCSKNQMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-3-7-20-16(22)12-6-8-19-15(10-12)17(23)21-14-5-4-13(18)9-11(14)2/h3-6,8-10H,1,7H2,2H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).