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

C13H16N4O2 — CID 23278757

IUPAC(6S,9S)-3-cyano-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)c2ncc(C#N)c(=O)n21
InChIInChI=1S/C13H16N4O2/c1-8-4-5-10(13(19)16(2)3)11-15-7-9(6-14)12(18)17(8)11/h7-8,10H,4-5H2,1-3H3/t8-,10-/m0/s1
InChIKeyUCRQAMBTTNKUNZ-WPRPVWTQSA-N
MW260.30 g/mol
LogP0.64
Rot. Bonds1

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

(6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 23278757) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound Name(6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID23278757
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(6S,9S)-3-cyano-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)c2ncc(C#N)c(=O)n21
InChIInChI=1S/C13H16N4O2/c1-8-4-5-10(13(19)16(2)3)11-15-7-9(6-14)12(18)17(8)11/h7-8,10H,4-5H2,1-3H3/t8-,10-/m0/s1
InChIKeyUCRQAMBTTNKUNZ-WPRPVWTQSA-N
XLogP0.64
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
9-Cyano-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 13949962
(6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 23278754
(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

Frequently Asked Questions

What is the IUPAC name of (6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of (6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide (CID 23278757) is (6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for (6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for (6S,9S)-3-cyano-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)c2ncc(C#N)c(=O)n21.
What is the InChIKey of (6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is UCRQAMBTTNKUNZ-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-4-5-10(13(19)16(2)3)11-15-7-9(6-14)12(18)17(8)11/h7-8,10H,4-5H2,1-3H3/t8-,10-/m0/s1.
What are the key properties of (6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide?
(6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9S)-3-cyano-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 23278757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).