[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone

C22H23BrN4O — CID 53132213

IUPAC[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2c(Nc3ccc(Br)c(C)c3)c(C(=O)N3CCCCC3)cnc2n1
InChIInChI=1S/C22H23BrN4O/c1-14-12-16(7-9-19(14)23)26-20-17-8-6-15(2)25-21(17)24-13-18(20)22(28)27-10-4-3-5-11-27/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,25,26)
InChIKeyKRWUDBULEADCRC-UHFFFAOYSA-N
MW439.36 g/mol
LogP5.38
Rot. Bonds3

About [4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone

[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone (PubChem CID 53132213) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is [4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
PubChem CID53132213
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC Name[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2c(Nc3ccc(Br)c(C)c3)c(C(=O)N3CCCCC3)cnc2n1
InChIInChI=1S/C22H23BrN4O/c1-14-12-16(7-9-19(14)23)26-20-17-8-6-15(2)25-21(17)24-13-18(20)22(28)27-10-4-3-5-11-27/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,25,26)
InChIKeyKRWUDBULEADCRC-UHFFFAOYSA-N
XLogP5.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146063835
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53132211
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063718
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063924
[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063957

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone (CID 53132213) is [4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone is Cc1ccc2c(Nc3ccc(Br)c(C)c3)c(C(=O)N3CCCCC3)cnc2n1.
What is the InChIKey of [4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is KRWUDBULEADCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c1-14-12-16(7-9-19(14)23)26-20-17-8-6-15(2)25-21(17)24-13-18(20)22(28)27-10-4-3-5-11-27/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,25,26).
What are the key properties of [4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 439.36 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53132213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).