[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride

C23H27ClN4O — CID 146064088

IUPAC[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCc1ccc(Nc2c(C(=O)N3CCCCC3C)cnc3nc(C)ccc23)cc1.Cl
InChIInChI=1S/C23H26N4O.ClH/c1-15-7-10-18(11-8-15)26-21-19-12-9-16(2)25-22(19)24-14-20(21)23(28)27-13-5-4-6-17(27)3;/h7-12,14,17H,4-6,13H2,1-3H3,(H,24,25,26);1H
InChIKeyMYGKCNZRRCKDBJ-UHFFFAOYSA-N
MW410.95 g/mol
LogP5.43
Rot. Bonds3

About [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride

[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 146064088) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID146064088
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC Name[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCc1ccc(Nc2c(C(=O)N3CCCCC3C)cnc3nc(C)ccc23)cc1.Cl
InChIInChI=1S/C23H26N4O.ClH/c1-15-7-10-18(11-8-15)26-21-19-12-9-16(2)25-22(19)24-14-20(21)23(28)27-13-5-4-6-17(27)3;/h7-12,14,17H,4-6,13H2,1-3H3,(H,24,25,26);1H
InChIKeyMYGKCNZRRCKDBJ-UHFFFAOYSA-N
XLogP5.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride with MolForge

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Related Compounds

[4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064100
1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone
CID 53132272
(2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146064028
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95092522
N-[4-[[7-methyl-3-(4-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]acetamide
CID 53132327
[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064190
[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 95092504
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 53132281
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064188

Frequently Asked Questions

What is the IUPAC name of [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride (CID 146064088) is [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride is Cc1ccc(Nc2c(C(=O)N3CCCCC3C)cnc3nc(C)ccc23)cc1.Cl.
What is the InChIKey of [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is MYGKCNZRRCKDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O.ClH/c1-15-7-10-18(11-8-15)26-21-19-12-9-16(2)25-22(19)24-14-20(21)23(28)27-13-5-4-6-17(27)3;/h7-12,14,17H,4-6,13H2,1-3H3,(H,24,25,26);1H.
What are the key properties of [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 146064088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).