2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide

C9H13N3O — CID 66692564

IUPAC2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)C1CCN2C=CC=CC2N1
InChIInChI=1S/C9H13N3O/c10-9(13)7-4-6-12-5-2-1-3-8(12)11-7/h1-3,5,7-8,11H,4,6H2,(H2,10,13)
InChIKeyCFZFBSPJDRYQHC-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.45
Rot. Bonds1

About 2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide

2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 66692564) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID66692564
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)C1CCN2C=CC=CC2N1
InChIInChI=1S/C9H13N3O/c10-9(13)7-4-6-12-5-2-1-3-8(12)11-7/h1-3,5,7-8,11H,4,6H2,(H2,10,13)
InChIKeyCFZFBSPJDRYQHC-UHFFFAOYSA-N
XLogP-0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide (CID 66692564) is 2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide is NC(=O)C1CCN2C=CC=CC2N1.
What is the InChIKey of 2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is CFZFBSPJDRYQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(13)7-4-6-12-5-2-1-3-8(12)11-7/h1-3,5,7-8,11H,4,6H2,(H2,10,13).
What are the key properties of 2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide?
2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 179.22 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 66692564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).