N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide

C24H29N5O3 — CID 53029952

IUPACN,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cccnc1)C(=O)C1CCCCN21
InChIInChI=1S/C24H29N5O3/c1-3-27(4-2)23(31)17-10-11-19-21(14-17)29(24(32)20-9-5-6-13-28(19)20)16-22(30)26-18-8-7-12-25-15-18/h7-8,10-12,14-15,20H,3-6,9,13,16H2,1-2H3,(H,26,30)
InChIKeyXTEYJSGDKVIYFA-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.91
Rot. Bonds6

About N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide

N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (PubChem CID 53029952) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
PubChem CID53029952
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cccnc1)C(=O)C1CCCCN21
InChIInChI=1S/C24H29N5O3/c1-3-27(4-2)23(31)17-10-11-19-21(14-17)29(24(32)20-9-5-6-13-28(19)20)16-22(30)26-18-8-7-12-25-15-18/h7-8,10-12,14-15,20H,3-6,9,13,16H2,1-2H3,(H,26,30)
InChIKeyXTEYJSGDKVIYFA-UHFFFAOYSA-N
XLogP2.91
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide with MolForge

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Related Compounds

(6aS)-5-[2-(4-acetamidoanilino)-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 93059986
(6aS)-N,N-diethyl-5-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 93059956
5-[2-(cyclopentylamino)-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 53029960
2-[(6aR)-3-(diethylcarbamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetic acid
CID 92725458
(6aS)-5-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92752128
N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 53029950
5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 53029957
(6aR)-N,N-dimethyl-6-oxo-5-[2-oxo-2-(pyridin-2-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 95074739
N-(3-methylphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53088590
5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 53029938
(6aS)-N,N-dimethyl-6-oxo-5-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 95074756
2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53008416

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The IUPAC name of N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (CID 53029952) is N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cccnc1)C(=O)C1CCCCN21.
What is the InChIKey of N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The InChIKey is XTEYJSGDKVIYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-27(4-2)23(31)17-10-11-19-21(14-17)29(24(32)20-9-5-6-13-28(19)20)16-22(30)26-18-8-7-12-25-15-18/h7-8,10-12,14-15,20H,3-6,9,13,16H2,1-2H3,(H,26,30).
What are the key properties of N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-oxo-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53029952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).