4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide

C9H15N3O — CID 150393961

IUPAC4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1=CNC2CCCCN2C1
InChIInChI=1S/C9H15N3O/c10-9(13)7-5-11-8-3-1-2-4-12(8)6-7/h5,8,11H,1-4,6H2,(H2,10,13)
InChIKeyHCHJLGNGPDHZIX-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.23
Rot. Bonds1

About 4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide

4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 150393961) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID150393961
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1=CNC2CCCCN2C1
InChIInChI=1S/C9H15N3O/c10-9(13)7-5-11-8-3-1-2-4-12(8)6-7/h5,8,11H,1-4,6H2,(H2,10,13)
InChIKeyHCHJLGNGPDHZIX-UHFFFAOYSA-N
XLogP-0.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide (CID 150393961) is 4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide is NC(=O)C1=CNC2CCCCN2C1.
What is the InChIKey of 4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HCHJLGNGPDHZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-9(13)7-5-11-8-3-1-2-4-12(8)6-7/h5,8,11H,1-4,6H2,(H2,10,13).
What are the key properties of 4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide?
4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 181.24 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 150393961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).