N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide

C17H12N8O — CID 176858503

IUPACN-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide
SMILESO=C(Nc1ccnc(-c2ccccn2)n1)c1cncn1-c1cncnc1
InChIInChI=1S/C17H12N8O/c26-17(14-9-20-11-25(14)12-7-18-10-19-8-12)24-15-4-6-22-16(23-15)13-3-1-2-5-21-13/h1-11H,(H,22,23,24,26)
InChIKeyCWPBELRZOKZPML-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.77
Rot. Bonds4

About N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide

N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide (PubChem CID 176858503) has the molecular formula C17H12N8O and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide
PubChem CID176858503
Molecular FormulaC17H12N8O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC NameN-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide
SMILESO=C(Nc1ccnc(-c2ccccn2)n1)c1cncn1-c1cncnc1
InChIInChI=1S/C17H12N8O/c26-17(14-9-20-11-25(14)12-7-18-10-19-8-12)24-15-4-6-22-16(23-15)13-3-1-2-5-21-13/h1-11H,(H,22,23,24,26)
InChIKeyCWPBELRZOKZPML-UHFFFAOYSA-N
XLogP1.77
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide (CID 176858503) is N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide is O=C(Nc1ccnc(-c2ccccn2)n1)c1cncn1-c1cncnc1.
What is the InChIKey of N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide?
The InChIKey is CWPBELRZOKZPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8O/c26-17(14-9-20-11-25(14)12-7-18-10-19-8-12)24-15-4-6-22-16(23-15)13-3-1-2-5-21-13/h1-11H,(H,22,23,24,26).
What are the key properties of N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide?
N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide is sourced from PubChem (CID 176858503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).