3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one

C20H22N4O — CID 134603467

IUPAC3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one
SMILESCCn1cc(CN)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C20H22N4O/c1-2-24-12-15(10-21)19(25)18-9-17(11-22-20(18)24)23-16-7-13-5-3-4-6-14(13)8-16/h3-6,9,11-12,16,23H,2,7-8,10,21H2,1H3
InChIKeyNEXKQLQDWOADGW-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.45
Rot. Bonds4

About 3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one

3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one (PubChem CID 134603467) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one
PubChem CID134603467
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one
SMILESCCn1cc(CN)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C20H22N4O/c1-2-24-12-15(10-21)19(25)18-9-17(11-22-20(18)24)23-16-7-13-5-3-4-6-14(13)8-16/h3-6,9,11-12,16,23H,2,7-8,10,21H2,1H3
InChIKeyNEXKQLQDWOADGW-UHFFFAOYSA-N
XLogP2.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(3-hydroxypropyl)-1,8-naphthyridin-4-one
CID 134590449
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one
CID 134588162
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one
CID 134603468
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(3-hydroxyprop-1-ynyl)-1,8-naphthyridin-4-one
CID 134588371
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one
CID 134603475
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one
CID 134588052
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-pyridin-3-yl-1,8-naphthyridin-4-one
CID 134588179
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one
CID 24772165
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 24954059
6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 134588178
6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane
CID 142369043
1-ethyl-6-(oxan-4-ylamino)-1,8-naphthyridin-4-one
CID 134588609

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one (CID 134603467) is 3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one is CCn1cc(CN)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21.
What is the InChIKey of 3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one?
The InChIKey is NEXKQLQDWOADGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-24-12-15(10-21)19(25)18-9-17(11-22-20(18)24)23-16-7-13-5-3-4-6-14(13)8-16/h3-6,9,11-12,16,23H,2,7-8,10,21H2,1H3.
What are the key properties of 3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one?
3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one has a molecular weight of 334.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 134603467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).