9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide

C13H18N4O3 — CID 54178618

IUPAC9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide
SMILESCC1CCC(C(=O)N(C)C)c2ncc(C(N)=O)c(=O)n21
InChIInChI=1S/C13H18N4O3/c1-7-4-5-8(12(19)16(2)3)11-15-6-9(10(14)18)13(20)17(7)11/h6-8H,4-5H2,1-3H3,(H2,14,18)
InChIKeyPAFAGTFASCDNGX-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.13
Rot. Bonds2

About 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide

9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide (PubChem CID 54178618) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide.

Molecular Properties

Compound Name9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide
PubChem CID54178618
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide
SMILESCC1CCC(C(=O)N(C)C)c2ncc(C(N)=O)c(=O)n21
InChIInChI=1S/C13H18N4O3/c1-7-4-5-8(12(19)16(2)3)11-15-6-9(10(14)18)13(20)17(7)11/h6-8H,4-5H2,1-3H3,(H2,14,18)
InChIKeyPAFAGTFASCDNGX-UHFFFAOYSA-N
XLogP-0.13
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide with MolForge

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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
(4aS*,8aR*)-6-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56885417
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
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
(9E)-9-hydrazinylidene-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13218245
N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride
CID 20548213
9-hydrazono-6-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine-3-carboxamide
CID 57197527
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 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide?
The IUPAC name of 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide (CID 54178618) is 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide.
What is the SMILES notation for 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide?
The canonical SMILES for 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide is CC1CCC(C(=O)N(C)C)c2ncc(C(N)=O)c(=O)n21.
What is the InChIKey of 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide?
The InChIKey is PAFAGTFASCDNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-7-4-5-8(12(19)16(2)3)11-15-6-9(10(14)18)13(20)17(7)11/h6-8H,4-5H2,1-3H3,(H2,14,18).
What are the key properties of 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide?
9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide is sourced from PubChem (CID 54178618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).