1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone

C24H26N4O2 — CID 53132272

IUPAC1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2c(C(=O)N3CCCCC3C)cnc3nc(C)ccc23)cc1
InChIInChI=1S/C24H26N4O2/c1-15-7-12-20-22(27-19-10-8-18(9-11-19)17(3)29)21(14-25-23(20)26-15)24(30)28-13-5-4-6-16(28)2/h7-12,14,16H,4-6,13H2,1-3H3,(H,25,26,27)
InChIKeyTVJHRUJSYHEPKE-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.90
Rot. Bonds4

About 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone

1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone (PubChem CID 53132272) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone
PubChem CID53132272
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2c(C(=O)N3CCCCC3C)cnc3nc(C)ccc23)cc1
InChIInChI=1S/C24H26N4O2/c1-15-7-12-20-22(27-19-10-8-18(9-11-19)17(3)29)21(14-25-23(20)26-15)24(30)28-13-5-4-6-16(28)2/h7-12,14,16H,4-6,13H2,1-3H3,(H,25,26,27)
InChIKeyTVJHRUJSYHEPKE-UHFFFAOYSA-N
XLogP4.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064088
[4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064100
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95092522
(2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146064028
N-[4-[[7-methyl-3-(4-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]acetamide
CID 53132327
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53132211
[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 53132281
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
CID 53132253
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064188

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone (CID 53132272) is 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2c(C(=O)N3CCCCC3C)cnc3nc(C)ccc23)cc1.
What is the InChIKey of 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone?
The InChIKey is TVJHRUJSYHEPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-7-12-20-22(27-19-10-8-18(9-11-19)17(3)29)21(14-25-23(20)26-15)24(30)28-13-5-4-6-16(28)2/h7-12,14,16H,4-6,13H2,1-3H3,(H,25,26,27).
What are the key properties of 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone?
1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone has a molecular weight of 402.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 53132272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).