[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride

C21H22Cl2N4O — CID 146063816

IUPAC[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3cccc(Cl)c3)c(C(=O)N3CCCCC3)cnc2n1.Cl
InChIInChI=1S/C21H21ClN4O.ClH/c1-14-8-9-17-19(25-16-7-5-6-15(22)12-16)18(13-23-20(17)24-14)21(27)26-10-3-2-4-11-26;/h5-9,12-13H,2-4,10-11H2,1H3,(H,23,24,25);1H
InChIKeySPUDBAVCXQBMJV-UHFFFAOYSA-N
MW417.34 g/mol
LogP5.38
Rot. Bonds3

About [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride

[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride (PubChem CID 146063816) has the molecular formula C21H22Cl2N4O and a molecular weight of 417.34 g/mol. Its IUPAC name is [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
PubChem CID146063816
Molecular FormulaC21H22Cl2N4O
Molecular Weight417.34 g/mol
Exact Mass416.12
IUPAC Name[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3cccc(Cl)c3)c(C(=O)N3CCCCC3)cnc2n1.Cl
InChIInChI=1S/C21H21ClN4O.ClH/c1-14-8-9-17-19(25-16-7-5-6-15(22)12-16)18(13-23-20(17)24-14)21(27)26-10-3-2-4-11-26;/h5-9,12-13H,2-4,10-11H2,1H3,(H,23,24,25);1H
InChIKeySPUDBAVCXQBMJV-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 ≤ 500417.34
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063918
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063718
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
azepan-1-yl-[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146063835
[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 53132213
[4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 53132200
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063957
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[7-methyl-4-(3-methylsulfanylanilino)-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064211

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride?
The IUPAC name of [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride (CID 146063816) is [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride is Cc1ccc2c(Nc3cccc(Cl)c3)c(C(=O)N3CCCCC3)cnc2n1.Cl.
What is the InChIKey of [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride?
The InChIKey is SPUDBAVCXQBMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O.ClH/c1-14-8-9-17-19(25-16-7-5-6-15(22)12-16)18(13-23-20(17)24-14)21(27)26-10-3-2-4-11-26;/h5-9,12-13H,2-4,10-11H2,1H3,(H,23,24,25);1H.
What are the key properties of [4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride?
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 417.34 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-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 146063816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).