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

C23H19N5O2 — CID 134556468

IUPAC2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N5O2/c1-30-18-9-7-17(8-10-18)26-23-25-14-12-20(28-23)22(29)27-21-15-24-13-11-19(21)16-5-3-2-4-6-16/h2-15H,1H3,(H,27,29)(H,25,26,28)
InChIKeyWQUSEPBJMLQZJS-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.54
Rot. Bonds6

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

2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 134556468) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID134556468
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N5O2/c1-30-18-9-7-17(8-10-18)26-23-25-14-12-20(28-23)22(29)27-21-15-24-13-11-19(21)16-5-3-2-4-6-16/h2-15H,1H3,(H,27,29)(H,25,26,28)
InChIKeyWQUSEPBJMLQZJS-UHFFFAOYSA-N
XLogP4.54
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (CID 134556468) is 2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is COc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is WQUSEPBJMLQZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-30-18-9-7-17(8-10-18)26-23-25-14-12-20(28-23)22(29)27-21-15-24-13-11-19(21)16-5-3-2-4-6-16/h2-15H,1H3,(H,27,29)(H,25,26,28).
What are the key properties of 2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134556468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).