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

C16H24N4O — CID 88624828

IUPACN-ethyl-3-oxido-1-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine
SMILESCCNN1CC2=C(c3cccnc31)C(C(C)C)C[NH+]([O-])C2
InChIInChI=1S/C16H24N4O/c1-4-18-20-9-12-8-19(21)10-14(11(2)3)15(12)13-6-5-7-17-16(13)20/h5-7,11,14,18-19H,4,8-10H2,1-3H3
InChIKeyBTBKXHNUWWZCLV-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.85
Rot. Bonds3

About 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

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 (PubChem CID 88624828) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-ethyl-3-oxido-1-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine
PubChem CID88624828
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-ethyl-3-oxido-1-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine
SMILESCCNN1CC2=C(c3cccnc31)C(C(C)C)C[NH+]([O-])C2
InChIInChI=1S/C16H24N4O/c1-4-18-20-9-12-8-19(21)10-14(11(2)3)15(12)13-6-5-7-17-16(13)20/h5-7,11,14,18-19H,4,8-10H2,1-3H3
InChIKeyBTBKXHNUWWZCLV-UHFFFAOYSA-N
XLogP0.85
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-3-oxido-2,3,4,5-tetrahydro-1H-pyrido[3,4-c][1,8]naphthyridin-3-ium-6-amine
CID 88625145
1-propan-2-yl-6-(propylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
CID 70386828
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-ethoxy-1-methyl-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
CID 21276719
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine
CID 141364617
1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine
CID 114055804
N-methyl-1-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63853712
N-(1-cyclobutylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922136
tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate
CID 164883537

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNN1CC2=C(c3cccnc31)C(C(C)C)C[NH+]([O-])C2.
What is the InChIKey of 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?
The InChIKey is BTBKXHNUWWZCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-18-20-9-12-8-19(21)10-14(11(2)3)15(12)13-6-5-7-17-16(13)20/h5-7,11,14,18-19H,4,8-10H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 288.40 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88624828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).