2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

C23H16N6O — CID 134542788

IUPAC2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H16N6O/c24-14-16-6-8-18(9-7-16)27-23-26-13-11-20(29-23)22(30)28-21-15-25-12-10-19(21)17-4-2-1-3-5-17/h1-13,15H,(H,28,30)(H,26,27,29)
InChIKeyKOZNFQBNKITETG-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 134542788) has the molecular formula C23H16N6O and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID134542788
Molecular FormulaC23H16N6O
Molecular Weight392.42 g/mol
Exact Mass392.14
IUPAC Name2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H16N6O/c24-14-16-6-8-18(9-7-16)27-23-26-13-11-20(29-23)22(30)28-21-15-25-12-10-19(21)17-4-2-1-3-5-17/h1-13,15H,(H,28,30)(H,26,27,29)
InChIKeyKOZNFQBNKITETG-UHFFFAOYSA-N
XLogP4.41
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (CID 134542788) is 2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is N#Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is KOZNFQBNKITETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O/c24-14-16-6-8-18(9-7-16)27-23-26-13-11-20(29-23)22(30)28-21-15-25-12-10-19(21)17-4-2-1-3-5-17/h1-13,15H,(H,28,30)(H,26,27,29).
What are the key properties of 2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134542788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).