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

C22H24ClIN4O — CID 146064100

IUPAC[4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCc1ccc2c(Nc3ccc(I)cc3)c(C(=O)N3CCCCC3C)cnc2n1.Cl
InChIInChI=1S/C22H23IN4O.ClH/c1-14-6-11-18-20(26-17-9-7-16(23)8-10-17)19(13-24-21(18)25-14)22(28)27-12-4-3-5-15(27)2;/h6-11,13,15H,3-5,12H2,1-2H3,(H,24,25,26);1H
InChIKeyLPWGPBHWYMKOQN-UHFFFAOYSA-N
MW522.82 g/mol
LogP5.72
Rot. Bonds3

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

[4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 146064100) has the molecular formula C22H24ClIN4O and a molecular weight of 522.82 g/mol. Its IUPAC name is [4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID146064100
Molecular FormulaC22H24ClIN4O
Molecular Weight522.82 g/mol
Exact Mass522.07
IUPAC Name[4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCc1ccc2c(Nc3ccc(I)cc3)c(C(=O)N3CCCCC3C)cnc2n1.Cl
InChIInChI=1S/C22H23IN4O.ClH/c1-14-6-11-18-20(26-17-9-7-16(23)8-10-17)19(13-24-21(18)25-14)22(28)27-12-4-3-5-15(27)2;/h6-11,13,15H,3-5,12H2,1-2H3,(H,24,25,26);1H
InChIKeyLPWGPBHWYMKOQN-UHFFFAOYSA-N
XLogP5.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.82
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064088
1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone
CID 53132272
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95092522
(2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146064028
N-[4-[[7-methyl-3-(4-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]acetamide
CID 53132327
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
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
propan-2-yl 4-(4-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063615
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
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064202

Frequently Asked Questions

What is the IUPAC name of [4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride (CID 146064100) is [4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride is Cc1ccc2c(Nc3ccc(I)cc3)c(C(=O)N3CCCCC3C)cnc2n1.Cl.
What is the InChIKey of [4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is LPWGPBHWYMKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23IN4O.ClH/c1-14-6-11-18-20(26-17-9-7-16(23)8-10-17)19(13-24-21(18)25-14)22(28)27-12-4-3-5-15(27)2;/h6-11,13,15H,3-5,12H2,1-2H3,(H,24,25,26);1H.
What are the key properties of [4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride?
[4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 522.82 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 146064100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).