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

C16H32N4O2 — CID 75449619

IUPACN-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
SMILESCOCCN(C)CCNC(=O)N1CCCC2CN(C)CCC21
InChIInChI=1S/C16H32N4O2/c1-18(11-12-22-3)10-7-17-16(21)20-8-4-5-14-13-19(2)9-6-15(14)20/h14-15H,4-13H2,1-3H3,(H,17,21)
InChIKeyDUEQEMMRQUYRTO-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.69
Rot. Bonds6

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

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide (PubChem CID 75449619) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
PubChem CID75449619
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
SMILESCOCCN(C)CCNC(=O)N1CCCC2CN(C)CCC21
InChIInChI=1S/C16H32N4O2/c1-18(11-12-22-3)10-7-17-16(21)20-8-4-5-14-13-19(2)9-6-15(14)20/h14-15H,4-13H2,1-3H3,(H,17,21)
InChIKeyDUEQEMMRQUYRTO-UHFFFAOYSA-N
XLogP0.69
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide (CID 75449619) is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide is COCCN(C)CCNC(=O)N1CCCC2CN(C)CCC21.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
The InChIKey is DUEQEMMRQUYRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-18(11-12-22-3)10-7-17-16(21)20-8-4-5-14-13-19(2)9-6-15(14)20/h14-15H,4-13H2,1-3H3,(H,17,21).
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 75449619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).