2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide

C23H25N5O2 — CID 155916991

IUPAC2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1cnc2c(c1)CN(C(=O)c1cnc3ccccc3n1)CC2
InChIInChI=1S/C23H25N5O2/c1-23(2,3)22(30)26-12-15-10-16-14-28(9-8-17(16)24-11-15)21(29)20-13-25-18-6-4-5-7-19(18)27-20/h4-7,10-11,13H,8-9,12,14H2,1-3H3,(H,26,30)
InChIKeyVEKAANORXSVGGF-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.89
Rot. Bonds3

About 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide

2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide (PubChem CID 155916991) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide
PubChem CID155916991
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1cnc2c(c1)CN(C(=O)c1cnc3ccccc3n1)CC2
InChIInChI=1S/C23H25N5O2/c1-23(2,3)22(30)26-12-15-10-16-14-28(9-8-17(16)24-11-15)21(29)20-13-25-18-6-4-5-7-19(18)27-20/h4-7,10-11,13H,8-9,12,14H2,1-3H3,(H,26,30)
InChIKeyVEKAANORXSVGGF-UHFFFAOYSA-N
XLogP2.89
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide with MolForge

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Related Compounds

3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide
CID 155911299
N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide
CID 155911052
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone
CID 69266782
[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-quinoxalin-2-ylmethanone
CID 42870808
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
CID 103727060
methyl 2-[2-oxo-4-(quinoxaline-2-carbonyl)piperazin-1-yl]acetate
CID 29068974
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide
CID 155910146
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529442

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide (CID 155916991) is 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide is CC(C)(C)C(=O)NCc1cnc2c(c1)CN(C(=O)c1cnc3ccccc3n1)CC2.
What is the InChIKey of 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide?
The InChIKey is VEKAANORXSVGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-23(2,3)22(30)26-12-15-10-16-14-28(9-8-17(16)24-11-15)21(29)20-13-25-18-6-4-5-7-19(18)27-20/h4-7,10-11,13H,8-9,12,14H2,1-3H3,(H,26,30).
What are the key properties of 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide?
2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide has a molecular weight of 403.49 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide is sourced from PubChem (CID 155916991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).