6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide

C16H31N3O2 — CID 75449507

IUPAC6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
SMILESCC(C)OCCCNC(=O)N1CCCC2CN(C)CCC21
InChIInChI=1S/C16H31N3O2/c1-13(2)21-11-5-8-17-16(20)19-9-4-6-14-12-18(3)10-7-15(14)19/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyQHTCHXFIBBHPMS-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.93
Rot. Bonds5

About 6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide

6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide (PubChem CID 75449507) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
PubChem CID75449507
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
SMILESCC(C)OCCCNC(=O)N1CCCC2CN(C)CCC21
InChIInChI=1S/C16H31N3O2/c1-13(2)21-11-5-8-17-16(20)19-9-4-6-14-12-18(3)10-7-15(14)19/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyQHTCHXFIBBHPMS-UHFFFAOYSA-N
XLogP1.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4aR,8aS)-N-(2-tert-butylsulfanylethyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 97341693
3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
CID 86811915
(4aR,8aS)-N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 124622578
5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 104686548
N-cyclohexyl-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 127710002
N-(4-hydroxy-2-phenylbutyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 110012592
(4aS,8aR)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 100906866
(4aR,8aS)-N-(4-acetylphenyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 96997650
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide
CID 86914027
3-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106004384
N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007547
N'-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)oxamide
CID 108525308

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
The IUPAC name of 6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide (CID 75449507) is 6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
The canonical SMILES for 6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide is CC(C)OCCCNC(=O)N1CCCC2CN(C)CCC21.
What is the InChIKey of 6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
The InChIKey is QHTCHXFIBBHPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)21-11-5-8-17-16(20)19-9-4-6-14-12-18(3)10-7-15(14)19/h13-15H,4-12H2,1-3H3,(H,17,20).
What are the key properties of 6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 75449507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).