1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide

C18H13N7O — CID 176858420

IUPAC1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide
SMILESO=C(Nc1ccnc(-c2ccccn2)n1)c1nccn1-c1ccccn1
InChIInChI=1S/C18H13N7O/c26-18(17-22-11-12-25(17)15-6-2-4-9-20-15)24-14-7-10-21-16(23-14)13-5-1-3-8-19-13/h1-12H,(H,21,23,24,26)
InChIKeyDECUYFRTOQKITI-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.37
Rot. Bonds4

About 1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide

1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide (PubChem CID 176858420) has the molecular formula C18H13N7O and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide
PubChem CID176858420
Molecular FormulaC18H13N7O
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide
SMILESO=C(Nc1ccnc(-c2ccccn2)n1)c1nccn1-c1ccccn1
InChIInChI=1S/C18H13N7O/c26-18(17-22-11-12-25(17)15-6-2-4-9-20-15)24-14-7-10-21-16(23-14)13-5-1-3-8-19-13/h1-12H,(H,21,23,24,26)
InChIKeyDECUYFRTOQKITI-UHFFFAOYSA-N
XLogP2.37
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide?
The IUPAC name of 1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide (CID 176858420) is 1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide.
What is the SMILES notation for 1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide?
The canonical SMILES for 1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide is O=C(Nc1ccnc(-c2ccccn2)n1)c1nccn1-c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide?
The InChIKey is DECUYFRTOQKITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O/c26-18(17-22-11-12-25(17)15-6-2-4-9-20-15)24-14-7-10-21-16(23-14)13-5-1-3-8-19-13/h1-12H,(H,21,23,24,26).
What are the key properties of 1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide?
1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)imidazole-2-carboxamide is sourced from PubChem (CID 176858420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).