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

C9H13N3O — CID 135222505

IUPAC6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1=CN=C2CCCCN2C1
InChIInChI=1S/C9H13N3O/c10-9(13)7-5-11-8-3-1-2-4-12(8)6-7/h5H,1-4,6H2,(H2,10,13)
InChIKeyJEQXWZJFJHMYIS-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.25
Rot. Bonds1

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

6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135222505) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135222505
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1=CN=C2CCCCN2C1
InChIInChI=1S/C9H13N3O/c10-9(13)7-5-11-8-3-1-2-4-12(8)6-7/h5H,1-4,6H2,(H2,10,13)
InChIKeyJEQXWZJFJHMYIS-UHFFFAOYSA-N
XLogP0.25
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135222505) is 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide is NC(=O)C1=CN=C2CCCCN2C1.
What is the InChIKey of 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JEQXWZJFJHMYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(13)7-5-11-8-3-1-2-4-12(8)6-7/h5H,1-4,6H2,(H2,10,13).
What are the key properties of 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide?
6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135222505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).