N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C12H9N5O2 — CID 55027601

IUPACN-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H9N5O2/c18-10(16-12-13-4-5-14-12)8-7-15-9-3-1-2-6-17(9)11(8)19/h1-7H,(H2,13,14,16,18)
InChIKeyHNSXZINCDQGUJM-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.67
Rot. Bonds2

About N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 55027601) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID55027601
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC NameN-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H9N5O2/c18-10(16-12-13-4-5-14-12)8-7-15-9-3-1-2-6-17(9)11(8)19/h1-7H,(H2,13,14,16,18)
InChIKeyHNSXZINCDQGUJM-UHFFFAOYSA-N
XLogP0.67
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 55027601) is N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ncc[nH]1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HNSXZINCDQGUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c18-10(16-12-13-4-5-14-12)8-7-15-9-3-1-2-6-17(9)11(8)19/h1-7H,(H2,13,14,16,18).
What are the key properties of N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55027601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).