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

C23H27ClN4O2 — CID 146064190

IUPAC[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCOc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-15-10-12-27(13-11-15)23(28)20-14-24-22-19(9-4-16(2)25-22)21(20)26-17-5-7-18(29-3)8-6-17;/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26);1H
InChIKeyUKOIIFMQDJRFHL-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.98
Rot. Bonds4

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

[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 146064190) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is [4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID146064190
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCOc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-15-10-12-27(13-11-15)23(28)20-14-24-22-19(9-4-16(2)25-22)21(20)26-17-5-7-18(29-3)8-6-17;/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26);1H
InChIKeyUKOIIFMQDJRFHL-UHFFFAOYSA-N
XLogP4.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064188
N-[4-[[7-methyl-3-(4-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]acetamide
CID 53132327
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064202
[7-methyl-4-(3-methylsulfanylanilino)-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064211
[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 53132281
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
[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
[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063932
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064088
4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
CID 53132253

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride (CID 146064190) is [4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride is COc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1.Cl.
What is the InChIKey of [4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is UKOIIFMQDJRFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.ClH/c1-15-10-12-27(13-11-15)23(28)20-14-24-22-19(9-4-16(2)25-22)21(20)26-17-5-7-18(29-3)8-6-17;/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26);1H.
What are the key properties of [4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 426.95 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 146064190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).