2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide

C20H15N5O2 — CID 109087397

IUPAC2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(C(=O)NCc3cccnc3)ccn2)cc1
InChIInChI=1S/C20H15N5O2/c21-11-14-3-5-17(6-4-14)25-20(27)18-10-16(7-9-23-18)19(26)24-13-15-2-1-8-22-12-15/h1-10,12H,13H2,(H,24,26)(H,25,27)
InChIKeyKPISHKMBOSBURN-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.53
Rot. Bonds5

About 2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide

2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087397) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087397
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(C(=O)NCc3cccnc3)ccn2)cc1
InChIInChI=1S/C20H15N5O2/c21-11-14-3-5-17(6-4-14)25-20(27)18-10-16(7-9-23-18)19(26)24-13-15-2-1-8-22-12-15/h1-10,12H,13H2,(H,24,26)(H,25,27)
InChIKeyKPISHKMBOSBURN-UHFFFAOYSA-N
XLogP2.53
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-cyanophenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087495
2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087382
2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087356
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
2-N-(2-propan-2-yloxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087376
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044
4-N-(4-cyanophenyl)-2-N-(2,6-diethylphenyl)pyridine-2,4-dicarboxamide
CID 109092546
4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109089232

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087397) is 2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is N#Cc1ccc(NC(=O)c2cc(C(=O)NCc3cccnc3)ccn2)cc1.
What is the InChIKey of 2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is KPISHKMBOSBURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c21-11-14-3-5-17(6-4-14)25-20(27)18-10-16(7-9-23-18)19(26)24-13-15-2-1-8-22-12-15/h1-10,12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).