N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine

C12H16N4O — CID 88625145

IUPACN-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine
SMILESCNN1CC2=C(CC[NH+]([O-])C2)c2cccnc21
InChIInChI=1S/C12H16N4O/c1-13-16-8-9-7-15(17)6-4-10(9)11-3-2-5-14-12(11)16/h2-3,5,13,15H,4,6-8H2,1H3
InChIKeyDHWRILWROZYYSG-UHFFFAOYSA-N
MW232.29 g/mol
LogP-0.42
Rot. Bonds1

About N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine

N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine (PubChem CID 88625145) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine.

Molecular Properties

Compound NameN-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine
PubChem CID88625145
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine
SMILESCNN1CC2=C(CC[NH+]([O-])C2)c2cccnc21
InChIInChI=1S/C12H16N4O/c1-13-16-8-9-7-15(17)6-4-10(9)11-3-2-5-14-12(11)16/h2-3,5,13,15H,4,6-8H2,1H3
InChIKeyDHWRILWROZYYSG-UHFFFAOYSA-N
XLogP-0.42
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine with MolForge

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Related Compounds

N-ethyl-3-oxido-1-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine
CID 88624828
6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
CID 21276756
6-(ethylamino)-1-methyl-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one
CID 21276748
1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one
CID 21276764
6-bromo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
CID 21276772
1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
CID 70386828
3-oxo-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridine-6-carbonitrile
CID 21276739
1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one
CID 11819554
3-iodo-2-(3-methylazetidin-1-yl)pyridine
CID 170381224
2-(2-methylaziridin-1-yl)-3-nitropyridine
CID 10921096
(3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one
CID 76847801
6-ethoxy-1-methyl-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
CID 21276719

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine?
The IUPAC name of N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine (CID 88625145) is N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine.
What is the SMILES notation for N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine?
The canonical SMILES for N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine is CNN1CC2=C(CC[NH+]([O-])C2)c2cccnc21.
What is the InChIKey of N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine?
The InChIKey is DHWRILWROZYYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-13-16-8-9-7-15(17)6-4-10(9)11-3-2-5-14-12(11)16/h2-3,5,13,15H,4,6-8H2,1H3.
What are the key properties of N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine?
N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine has a molecular weight of 232.29 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine is sourced from PubChem (CID 88625145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).