N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide

C9H7N3O2 — CID 166571090

IUPACN-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=NC(=O)C1=CCN2C=CC=CC2=N1
InChIInChI=1S/C9H7N3O2/c13-9(11-14)7-4-6-12-5-2-1-3-8(12)10-7/h1-5H,6H2
InChIKeyLEOGLXMOBUYTLU-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.96
Rot. Bonds1

About N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide

N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 166571090) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID166571090
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC NameN-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=NC(=O)C1=CCN2C=CC=CC2=N1
InChIInChI=1S/C9H7N3O2/c13-9(11-14)7-4-6-12-5-2-1-3-8(12)10-7/h1-5H,6H2
InChIKeyLEOGLXMOBUYTLU-UHFFFAOYSA-N
XLogP0.96
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide (CID 166571090) is N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide is O=NC(=O)C1=CCN2C=CC=CC2=N1.
What is the InChIKey of N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is LEOGLXMOBUYTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-9(11-14)7-4-6-12-5-2-1-3-8(12)10-7/h1-5H,6H2.
What are the key properties of N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 189.17 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166571090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).