1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide

C10H14N3O2+ — CID 13480644

IUPAC1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
SMILESC[n+]1cc(C(N)=O)c(=O)n2c1CCCC2
InChIInChI=1S/C10H13N3O2/c1-12-6-7(9(11)14)10(15)13-5-3-2-4-8(12)13/h6H,2-5H2,1H3,(H-,11,14)/p+1
InChIKeyYDBIJMKBEASAPH-UHFFFAOYSA-O
MW208.24 g/mol
LogP-0.89
Rot. Bonds1

About 1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide

1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide (PubChem CID 13480644) has the molecular formula C10H14N3O2+ and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
PubChem CID13480644
Molecular FormulaC10H14N3O2+
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
SMILESC[n+]1cc(C(N)=O)c(=O)n2c1CCCC2
InChIInChI=1S/C10H13N3O2/c1-12-6-7(9(11)14)10(15)13-5-3-2-4-8(12)13/h6H,2-5H2,1H3,(H-,11,14)/p+1
InChIKeyYDBIJMKBEASAPH-UHFFFAOYSA-O
XLogP-0.89
TPSA68.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6,7,8,9-tetrahydro-6-methyl-4-oxo-
CID 118083
4H-Pyrido(1,2-a)pyrimidinium, 6,7,8,9-tetrahydro-3-carbamoyl-1,6-dimethyl-4-oxo-, methyl sulfate
CID 214582
3,6-Dimethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 601212
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13480639
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 3-methyl
CID 529096
1-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide;methyl sulfate
CID 134920138
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-acetyl-2-amino-6,7,8,9-tetrahydro-
CID 34851988
3-Carbamoyl-4-oxo-4,6,7,8,9,10-hexahydro-pyrimido[1,2-a]azepine
CID 12210260
(9E)-9-hydrazinylidene-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13218245
9,9-dibromo-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13312951
9-bromo-6-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine-3-carboxamide
CID 13467782

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide?
The IUPAC name of 1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide (CID 13480644) is 1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide is C[n+]1cc(C(N)=O)c(=O)n2c1CCCC2.
What is the InChIKey of 1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide?
The InChIKey is YDBIJMKBEASAPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N3O2/c1-12-6-7(9(11)14)10(15)13-5-3-2-4-8(12)13/h6H,2-5H2,1H3,(H-,11,14)/p+1.
What are the key properties of 1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide?
1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide has a molecular weight of 208.24 g/mol, XLogP of -0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide is sourced from PubChem (CID 13480644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).