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

C23H25ClF2N4O — CID 146064031

IUPAC[4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride
SMILESCCC1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F.Cl
InChIInChI=1S/C23H24F2N4O.ClH/c1-3-16-6-4-5-11-29(16)23(30)18-13-26-22-17(9-7-14(2)27-22)21(18)28-20-10-8-15(24)12-19(20)25;/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,26,27,28);1H
InChIKeyQDPZWOGGWNGLAY-UHFFFAOYSA-N
MW446.93 g/mol
LogP5.79
Rot. Bonds4

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

[4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 146064031) has the molecular formula C23H25ClF2N4O and a molecular weight of 446.93 g/mol. Its IUPAC name is [4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride
PubChem CID146064031
Molecular FormulaC23H25ClF2N4O
Molecular Weight446.93 g/mol
Exact Mass446.17
IUPAC Name[4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride
SMILESCCC1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F.Cl
InChIInChI=1S/C23H24F2N4O.ClH/c1-3-16-6-4-5-11-29(16)23(30)18-13-26-22-17(9-7-14(2)27-22)21(18)28-20-10-8-15(24)12-19(20)25;/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,26,27,28);1H
InChIKeyQDPZWOGGWNGLAY-UHFFFAOYSA-N
XLogP5.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-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

(2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146064037
[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 95092504
(2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146064028
[4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 53132265
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95092522
[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064088
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[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
N-(2,4-difluorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090195
[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 53132281
[4-(ethylamino)-6-methyl-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 81235968

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride (CID 146064031) is [4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride is CCC1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F.Cl.
What is the InChIKey of [4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is QDPZWOGGWNGLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O.ClH/c1-3-16-6-4-5-11-29(16)23(30)18-13-26-22-17(9-7-14(2)27-22)21(18)28-20-10-8-15(24)12-19(20)25;/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,26,27,28);1H.
What are the key properties of [4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride?
[4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 446.93 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 146064031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).