4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide

C17H14N4O2 — CID 109079174

IUPAC4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C17H14N4O2/c1-2-7-20-17(23)15-10-13(6-8-19-15)16(22)21-14-5-3-4-12(9-14)11-18/h2-6,8-10H,1,7H2,(H,20,23)(H,21,22)
InChIKeyFDJGBUIKCQSNBI-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.12
Rot. Bonds5

About 4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide

4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109079174) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109079174
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C17H14N4O2/c1-2-7-20-17(23)15-10-13(6-8-19-15)16(22)21-14-5-3-4-12(9-14)11-18/h2-6,8-10H,1,7H2,(H,20,23)(H,21,22)
InChIKeyFDJGBUIKCQSNBI-UHFFFAOYSA-N
XLogP2.12
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
2-N-[(4-chlorophenyl)methyl]-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086783
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079128
methyl 3-[[4-(prop-2-enylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109078938
3-cyano-N-prop-2-enylbenzamide
CID 24701030
2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092910
4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091863
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109079174) is 4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1.
What is the InChIKey of 4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is FDJGBUIKCQSNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-2-7-20-17(23)15-10-13(6-8-19-15)16(22)21-14-5-3-4-12(9-14)11-18/h2-6,8-10H,1,7H2,(H,20,23)(H,21,22).
What are the key properties of 4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).