(6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide

C12H17N3O2 — CID 23278754

IUPAC(6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
SMILESC[C@H]1CC[C@@H](C(=O)N(C)C)c2nccc(=O)n21
InChIInChI=1S/C12H17N3O2/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/t8-,9+/m0/s1
InChIKeyCYLQMOSMPVBNSS-DTWKUNHWSA-N
MW235.29 g/mol
LogP0.77
Rot. Bonds1

About (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide

(6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 23278754) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound Name(6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID23278754
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
SMILESC[C@H]1CC[C@@H](C(=O)N(C)C)c2nccc(=O)n21
InChIInChI=1S/C12H17N3O2/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/t8-,9+/m0/s1
InChIKeyCYLQMOSMPVBNSS-DTWKUNHWSA-N
XLogP0.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide with MolForge

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Related Compounds

N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 20548214
3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 21678581
N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride
CID 20548213
9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide
CID 54178618
(6S,9S)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 23278755
(6S,9R)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 23278756
(6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 23278757
6-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde
CID 130025874

Frequently Asked Questions

What is the IUPAC name of (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide (CID 23278754) is (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide is C[C@H]1CC[C@@H](C(=O)N(C)C)c2nccc(=O)n21.
What is the InChIKey of (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is CYLQMOSMPVBNSS-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H17N3O2/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/t8-,9+/m0/s1.
What are the key properties of (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
(6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 23278754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).