2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide

C13H10N6O — CID 170774143

IUPAC2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccncc1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C13H10N6O/c20-12(17-10-1-4-14-5-2-10)11-3-6-16-13(18-11)19-8-7-15-9-19/h1-9H,(H,14,17,20)
InChIKeyUGCJDKNYSIUUCB-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.31
Rot. Bonds3

About 2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide

2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide (PubChem CID 170774143) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
PubChem CID170774143
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccncc1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C13H10N6O/c20-12(17-10-1-4-14-5-2-10)11-3-6-16-13(18-11)19-8-7-15-9-19/h1-9H,(H,14,17,20)
InChIKeyUGCJDKNYSIUUCB-UHFFFAOYSA-N
XLogP1.31
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide (CID 170774143) is 2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide is O=C(Nc1ccncc1)c1ccnc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide?
The InChIKey is UGCJDKNYSIUUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c20-12(17-10-1-4-14-5-2-10)11-3-6-16-13(18-11)19-8-7-15-9-19/h1-9H,(H,14,17,20).
What are the key properties of 2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide?
2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 170774143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).