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

C9H13N3O — CID 89156379

IUPAC6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)C1=CCN2CCCCC2=N1
InChIInChI=1S/C9H13N3O/c10-9(13)7-4-6-12-5-2-1-3-8(12)11-7/h4H,1-3,5-6H2,(H2,10,13)
InChIKeyOLBRDCPCRFZGNE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.25
Rot. Bonds1

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

6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 89156379) 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-2-carboxamide.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID89156379
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)C1=CCN2CCCCC2=N1
InChIInChI=1S/C9H13N3O/c10-9(13)7-4-6-12-5-2-1-3-8(12)11-7/h4H,1-3,5-6H2,(H2,10,13)
InChIKeyOLBRDCPCRFZGNE-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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Related Compounds

4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
2-Ethylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one
CID 130738790
4,6,7,8,9,10-Hexahydropyrimido[1,2-a]azepine-2-carboxamide;hydrochloride
CID 67377056
4,6,7,8,9,10-Hexahydropyrimido[1,2-a]azepine-2-carboxamide
CID 67377057
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 69401963
4,6,7,8-Tetrahydropyrrolo[1,2-a]pyrimidine-2-carboxamide
CID 89156341
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 90891041
N-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 123236905
3-amino-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 10702198
2-(Aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 105438074
2-(Aminomethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115019461
(2E)-2-ethylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one
CID 133670122

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide (CID 89156379) is 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide is NC(=O)C1=CCN2CCCCC2=N1.
What is the InChIKey of 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is OLBRDCPCRFZGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(13)7-4-6-12-5-2-1-3-8(12)11-7/h4H,1-3,5-6H2,(H2,10,13).
What are the key properties of 6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide?
6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-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-2-carboxamide is sourced from PubChem (CID 89156379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).