[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride

C22H23ClF2N4O — CID 146064202

IUPAC[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCc1ccc2c(Nc3ccc(F)c(F)c3)c(C(=O)N3CCC(C)CC3)cnc2n1.Cl
InChIInChI=1S/C22H22F2N4O.ClH/c1-13-7-9-28(10-8-13)22(29)17-12-25-21-16(5-3-14(2)26-21)20(17)27-15-4-6-18(23)19(24)11-15;/h3-6,11-13H,7-10H2,1-2H3,(H,25,26,27);1H
InChIKeyCJUSXIPOWPEDBD-UHFFFAOYSA-N
MW432.90 g/mol
LogP5.25
Rot. Bonds3

About [4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride

[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 146064202) has the molecular formula C22H23ClF2N4O and a molecular weight of 432.90 g/mol. Its IUPAC name is [4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID146064202
Molecular FormulaC22H23ClF2N4O
Molecular Weight432.90 g/mol
Exact Mass432.15
IUPAC Name[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCc1ccc2c(Nc3ccc(F)c(F)c3)c(C(=O)N3CCC(C)CC3)cnc2n1.Cl
InChIInChI=1S/C22H22F2N4O.ClH/c1-13-7-9-28(10-8-13)22(29)17-12-25-21-16(5-3-14(2)26-21)20(17)27-15-4-6-18(23)19(24)11-15;/h3-6,11-13H,7-10H2,1-2H3,(H,25,26,27);1H
InChIKeyCJUSXIPOWPEDBD-UHFFFAOYSA-N
XLogP5.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.90
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064190
N-[4-[[7-methyl-3-(4-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]acetamide
CID 53132327
[7-methyl-4-(3-methylsulfanylanilino)-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064211
[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064188
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95092536
2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146064161
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 53132281
[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063957
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063995

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride (CID 146064202) is [4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride is Cc1ccc2c(Nc3ccc(F)c(F)c3)c(C(=O)N3CCC(C)CC3)cnc2n1.Cl.
What is the InChIKey of [4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is CJUSXIPOWPEDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O.ClH/c1-13-7-9-28(10-8-13)22(29)17-12-25-21-16(5-3-14(2)26-21)20(17)27-15-4-6-18(23)19(24)11-15;/h3-6,11-13H,7-10H2,1-2H3,(H,25,26,27);1H.
What are the key properties of [4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 432.90 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 146064202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).