N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride

C12H18ClN3O2 — CID 20548213

IUPACN,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride
SMILESCC1CCC(C(=O)N(C)C)c2nccc(=O)n21.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-8-4-5-9(12(17)14(2)3)11-13-7-6-10(16)15(8)11;/h6-9H,4-5H2,1-3H3;1H
InChIKeyYAKVCUUYXOPPQI-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.19
Rot. Bonds1

About N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride

N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride (PubChem CID 20548213) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride
PubChem CID20548213
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC NameN,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride
SMILESCC1CCC(C(=O)N(C)C)c2nccc(=O)n21.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-8-4-5-9(12(17)14(2)3)11-13-7-6-10(16)15(8)11;/h6-9H,4-5H2,1-3H3;1H
InChIKeyYAKVCUUYXOPPQI-UHFFFAOYSA-N
XLogP1.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride?
The IUPAC name of N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride (CID 20548213) is N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride.
What is the SMILES notation for N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride?
The canonical SMILES for N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride is CC1CCC(C(=O)N(C)C)c2nccc(=O)n21.Cl.
What is the InChIKey of N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride?
The InChIKey is YAKVCUUYXOPPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-8-4-5-9(12(17)14(2)3)11-13-7-6-10(16)15(8)11;/h6-9H,4-5H2,1-3H3;1H.
What are the key properties of N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride?
N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride is sourced from PubChem (CID 20548213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).