N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide

C9H11N3O2 — CID 123236905

IUPACN-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=NC(=O)C1=CCN2CCCCC2=N1
InChIInChI=1S/C9H11N3O2/c13-9(11-14)7-4-6-12-5-2-1-3-8(12)10-7/h4H,1-3,5-6H2
InChIKeySMMUWUABLJFEHV-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.06
Rot. Bonds1

About N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide

N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 123236905) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID123236905
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=NC(=O)C1=CCN2CCCCC2=N1
InChIInChI=1S/C9H11N3O2/c13-9(11-14)7-4-6-12-5-2-1-3-8(12)10-7/h4H,1-3,5-6H2
InChIKeySMMUWUABLJFEHV-UHFFFAOYSA-N
XLogP1.06
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide (CID 123236905) is N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide is O=NC(=O)C1=CCN2CCCCC2=N1.
What is the InChIKey of N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is SMMUWUABLJFEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(11-14)7-4-6-12-5-2-1-3-8(12)10-7/h4H,1-3,5-6H2.
What are the key properties of N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 123236905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).