N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide

C21H32N4O3 — CID 136515660

IUPACN-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
SMILESCCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C21H32N4O3/c1-5-28-19-13-15(20(26)23(2)3)8-9-17(19)22-21(27)25-12-10-18-16(14-25)7-6-11-24(18)4/h8-9,13,16,18H,5-7,10-12,14H2,1-4H3,(H,22,27)
InChIKeyUJCDIQWYDBVBOD-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.74
Rot. Bonds4

About N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide

N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide (PubChem CID 136515660) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
PubChem CID136515660
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
SMILESCCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C21H32N4O3/c1-5-28-19-13-15(20(26)23(2)3)8-9-17(19)22-21(27)25-12-10-18-16(14-25)7-6-11-24(18)4/h8-9,13,16,18H,5-7,10-12,14H2,1-4H3,(H,22,27)
InChIKeyUJCDIQWYDBVBOD-UHFFFAOYSA-N
XLogP2.74
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide with MolForge

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 136515635
1-[[4-(dimethylcarbamoyl)-2-ethoxyphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122086236
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076630
4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119340157
4-[3-[4-(dimethylcarbamoyl)-2-ethoxyanilino]-3-oxopropyl]benzoic acid
CID 120551346
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
[3-(aminomethyl)phenyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199131
N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 136516505
(4-bromo-3-methylphenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 115771050

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide (CID 136515660) is N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide is CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC2C(CCCN2C)C1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The InChIKey is UJCDIQWYDBVBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-5-28-19-13-15(20(26)23(2)3)8-9-17(19)22-21(27)25-12-10-18-16(14-25)7-6-11-24(18)4/h8-9,13,16,18H,5-7,10-12,14H2,1-4H3,(H,22,27).
What are the key properties of N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)-2-ethoxyphenyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 136515660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).