2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide

C21H35N3O3 — CID 176610239

IUPAC2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide
SMILESCOC1CCC([C@@H](C)NC(=O)CC2=C(C)C3C(C)NCCC3NC2=O)CC1
InChIInChI=1S/C21H35N3O3/c1-12-17(21(26)24-18-9-10-22-14(3)20(12)18)11-19(25)23-13(2)15-5-7-16(27-4)8-6-15/h13-16,18,20,22H,5-11H2,1-4H3,(H,23,25)(H,24,26)/t13-,14?,15?,16?,18?,20?/m1/s1
InChIKeyPECXBOOTDFIMJN-UPCFBVACSA-N
MW377.53 g/mol
LogP1.90
Rot. Bonds5

About 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide

2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide (PubChem CID 176610239) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide
PubChem CID176610239
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide
SMILESCOC1CCC([C@@H](C)NC(=O)CC2=C(C)C3C(C)NCCC3NC2=O)CC1
InChIInChI=1S/C21H35N3O3/c1-12-17(21(26)24-18-9-10-22-14(3)20(12)18)11-19(25)23-13(2)15-5-7-16(27-4)8-6-15/h13-16,18,20,22H,5-11H2,1-4H3,(H,23,25)(H,24,26)/t13-,14?,15?,16?,18?,20?/m1/s1
InChIKeyPECXBOOTDFIMJN-UPCFBVACSA-N
XLogP1.90
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide with MolForge

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Related Compounds

2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1S)-2-hydroxy-1-(3-methylcyclohexyl)ethyl]acetamide
CID 176610205
N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide
CID 176610154
N-[(1R)-1-(5-cyanopiperidin-2-yl)ethyl]-2-(4-methyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide
CID 176610112
N-[(1S)-1-(2,4-difluorocyclohexyl)ethyl]-2-[6-fluoro-4-methyl-2-oxo-5-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinolin-3-yl]acetamide
CID 176610237
N-[(1R)-1-(4-cyano-2-fluorocyclohexyl)ethyl]-2-(5-cyano-6-fluoro-4-methyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-quinolin-3-yl)acetamide
CID 176610147
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159
2-(4-methoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119473969
N-[(1S)-1-cyclopentylethyl]-2-methoxyacetamide
CID 81391061
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786
diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 8886196
methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
CID 34140038

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide (CID 176610239) is 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide is COC1CCC([C@@H](C)NC(=O)CC2=C(C)C3C(C)NCCC3NC2=O)CC1.
What is the InChIKey of 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide?
The InChIKey is PECXBOOTDFIMJN-UPCFBVACSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-12-17(21(26)24-18-9-10-22-14(3)20(12)18)11-19(25)23-13(2)15-5-7-16(27-4)8-6-15/h13-16,18,20,22H,5-11H2,1-4H3,(H,23,25)(H,24,26)/t13-,14?,15?,16?,18?,20?/m1/s1.
What are the key properties of 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide?
2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide has a molecular weight of 377.53 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide is sourced from PubChem (CID 176610239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).