2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide

C17H16N4O2 — CID 109077804

IUPAC2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H16N4O2/c1-2-7-20-16(22)13-6-8-19-15(10-13)17(23)21-14-5-3-4-12(9-14)11-18/h3-6,8-10H,2,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyXJYNMNAFXGOMRO-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.35
Rot. Bonds5

About 2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide

2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide (PubChem CID 109077804) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
PubChem CID109077804
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H16N4O2/c1-2-7-20-16(22)13-6-8-19-15(10-13)17(23)21-14-5-3-4-12(9-14)11-18/h3-6,8-10H,2,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyXJYNMNAFXGOMRO-UHFFFAOYSA-N
XLogP2.35
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
2-N-(3-methoxyphenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077744
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091863
4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079174
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
2-N-[(4-chlorophenyl)methyl]-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086783
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086241
2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092910
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109217911

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide (CID 109077804) is 2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide is CCCNC(=O)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide?
The InChIKey is XJYNMNAFXGOMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-7-20-16(22)13-6-8-19-15(10-13)17(23)21-14-5-3-4-12(9-14)11-18/h3-6,8-10H,2,7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide?
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109077804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).