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

C24H29ClN4O2 — CID 146064188

IUPAC[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCCOc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1.Cl
InChIInChI=1S/C24H28N4O2.ClH/c1-4-30-19-8-6-18(7-9-19)27-22-20-10-5-17(3)26-23(20)25-15-21(22)24(29)28-13-11-16(2)12-14-28;/h5-10,15-16H,4,11-14H2,1-3H3,(H,25,26,27);1H
InChIKeyWHJLFZZXRXKNNV-UHFFFAOYSA-N
MW440.98 g/mol
LogP5.37
Rot. Bonds5

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

[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 146064188) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is [4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID146064188
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCCOc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1.Cl
InChIInChI=1S/C24H28N4O2.ClH/c1-4-30-19-8-6-18(7-9-19)27-22-20-10-5-17(3)26-23(20)25-15-21(22)24(29)28-13-11-16(2)12-14-28;/h5-10,15-16H,4,11-14H2,1-3H3,(H,25,26,27);1H
InChIKeyWHJLFZZXRXKNNV-UHFFFAOYSA-N
XLogP5.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.98
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
[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
ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53132211
propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132137
[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-[[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-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063762
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride (CID 146064188) is [4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride is CCOc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1.Cl.
What is the InChIKey of [4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is WHJLFZZXRXKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.ClH/c1-4-30-19-8-6-18(7-9-19)27-22-20-10-5-17(3)26-23(20)25-15-21(22)24(29)28-13-11-16(2)12-14-28;/h5-10,15-16H,4,11-14H2,1-3H3,(H,25,26,27);1H.
What are the key properties of [4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride?
[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 440.98 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 146064188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).