2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine

C13H23N3 — CID 163826978

IUPAC2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine
SMILESCC1CC2CC3CCCN=C3NC2NC1C
InChIInChI=1S/C13H23N3/c1-8-6-11-7-10-4-3-5-14-12(10)16-13(11)15-9(8)2/h8-11,13,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyOAHZVFAGGQOYRL-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.75
Rot. Bonds

About 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine

2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine (PubChem CID 163826978) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine
PubChem CID163826978
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine
SMILESCC1CC2CC3CCCN=C3NC2NC1C
InChIInChI=1S/C13H23N3/c1-8-6-11-7-10-4-3-5-14-12(10)16-13(11)15-9(8)2/h8-11,13,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyOAHZVFAGGQOYRL-UHFFFAOYSA-N
XLogP1.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine with MolForge

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Related Compounds

(3R,5S,9R,11S)-3,11-bis(4-methylpentyl)-2,12,13-triazatricyclo[7.3.1.05,13]tridec-1-ene
CID 71596060
11-Methyl-3-(4-methylpentyl)-2,12,13-triazatricyclo[7.3.1.05,13]tridec-1-ene
CID 71596290
2-Methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine
CID 141081524
(3S,5R,9S,11R)-11-methyl-3-(4-methylpentyl)-2,12,13-triazatricyclo[7.3.1.05,13]tridec-1-ene
CID 71653673
(3S,5R,9S,11R)-3-(2-cyclopropylethyl)-11-methyl-2,12,13-triazatricyclo[7.3.1.05,13]tridec-1-ene
CID 71653822
N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine
CID 163117084
N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-amine
CID 163117085

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine?
The IUPAC name of 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine (CID 163826978) is 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine.
What is the SMILES notation for 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine?
The canonical SMILES for 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine is CC1CC2CC3CCCN=C3NC2NC1C.
What is the InChIKey of 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine?
The InChIKey is OAHZVFAGGQOYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-8-6-11-7-10-4-3-5-14-12(10)16-13(11)15-9(8)2/h8-11,13,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine?
2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine has a molecular weight of 221.35 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,2,3,4,4a,5,5a,6,7,8,10,10a-dodecahydropyrido[2,3-b][1,8]naphthyridine is sourced from PubChem (CID 163826978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).