[4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride

C22H25ClN4O2 — CID 146063762

IUPAC[4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCCOc1ccccc1Nc1c(C(=O)N2CCCC2)cnc2nc(C)ccc12.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-3-28-19-9-5-4-8-18(19)25-20-16-11-10-15(2)24-21(16)23-14-17(20)22(27)26-12-6-7-13-26;/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,24,25);1H
InChIKeyYPMBEHBCVUICDB-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.74
Rot. Bonds5

About [4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride

[4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride (PubChem CID 146063762) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is [4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
PubChem CID146063762
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name[4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCCOc1ccccc1Nc1c(C(=O)N2CCCC2)cnc2nc(C)ccc12.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-3-28-19-9-5-4-8-18(19)25-20-16-11-10-15(2)24-21(16)23-14-17(20)22(27)26-12-6-7-13-26;/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,24,25);1H
InChIKeyYPMBEHBCVUICDB-UHFFFAOYSA-N
XLogP4.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146064037
[4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 53132200
ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53132211
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
[4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 53132265
[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064188
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063718
azepan-1-yl-[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146063835
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The IUPAC name of [4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride (CID 146063762) is [4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride is CCOc1ccccc1Nc1c(C(=O)N2CCCC2)cnc2nc(C)ccc12.Cl.
What is the InChIKey of [4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The InChIKey is YPMBEHBCVUICDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.ClH/c1-3-28-19-9-5-4-8-18(19)25-20-16-11-10-15(2)24-21(16)23-14-17(20)22(27)26-12-6-7-13-26;/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,24,25);1H.
What are the key properties of [4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
[4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 146063762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).