2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide

C9H13N3O — CID 154521247

IUPAC2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1CNC2=CC=CCN2C1
InChIInChI=1S/C9H13N3O/c10-9(13)7-5-11-8-3-1-2-4-12(8)6-7/h1-3,7,11H,4-6H2,(H2,10,13)
InChIKeyVHFRUNXNJWPLGI-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.60
Rot. Bonds1

About 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide

2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 154521247) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID154521247
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1CNC2=CC=CCN2C1
InChIInChI=1S/C9H13N3O/c10-9(13)7-5-11-8-3-1-2-4-12(8)6-7/h1-3,7,11H,4-6H2,(H2,10,13)
InChIKeyVHFRUNXNJWPLGI-UHFFFAOYSA-N
XLogP-0.60
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 ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide (CID 154521247) is 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide is NC(=O)C1CNC2=CC=CCN2C1.
What is the InChIKey of 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VHFRUNXNJWPLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(13)7-5-11-8-3-1-2-4-12(8)6-7/h1-3,7,11H,4-6H2,(H2,10,13).
What are the key properties of 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide?
2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154521247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).