(6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide

C15H23N3O2 — CID 23278763

IUPAC(6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCc1c(C)nc2n(c1=O)[C@@H](C)CC[C@@H]2C(=O)N(C)C
InChIInChI=1S/C15H23N3O2/c1-6-11-10(3)16-13-12(14(19)17(4)5)8-7-9(2)18(13)15(11)20/h9,12H,6-8H2,1-5H3/t9-,12-/m0/s1
InChIKeyFWNIAAIBJHICGW-CABZTGNLSA-N
MW277.37 g/mol
LogP1.64
Rot. Bonds2

About (6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide

(6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 23278763) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound Name(6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID23278763
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCc1c(C)nc2n(c1=O)[C@@H](C)CC[C@@H]2C(=O)N(C)C
InChIInChI=1S/C15H23N3O2/c1-6-11-10(3)16-13-12(14(19)17(4)5)8-7-9(2)18(13)15(11)20/h9,12H,6-8H2,1-5H3/t9-,12-/m0/s1
InChIKeyFWNIAAIBJHICGW-CABZTGNLSA-N
XLogP1.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 12485605
6-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081389
7-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081390
8-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081391
13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
3-Ethyl-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154699920
10-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081392
11-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081393
12-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081394
3-Ethyl-2,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 14274965
4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide
CID 66825507
2,6-dimethyl-3-ethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine
CID 12527432

Frequently Asked Questions

What is the IUPAC name of (6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of (6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide (CID 23278763) is (6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for (6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for (6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide is CCc1c(C)nc2n(c1=O)[C@@H](C)CC[C@@H]2C(=O)N(C)C.
What is the InChIKey of (6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is FWNIAAIBJHICGW-CABZTGNLSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-6-11-10(3)16-13-12(14(19)17(4)5)8-7-9(2)18(13)15(11)20/h9,12H,6-8H2,1-5H3/t9-,12-/m0/s1.
What are the key properties of (6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
(6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 23278763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).