1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone

C21H14Cl2N4O2 — CID 141407143

IUPAC1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1cccnc1
InChIInChI=1S/C21H14Cl2N4O2/c1-11(28)14-10-25-18-5-4-17(12-7-15(22)21(29)16(23)8-12)27-20(18)19(14)26-13-3-2-6-24-9-13/h2-10,29H,1H3,(H,25,26)
InChIKeySAOOGYNENUSWCF-UHFFFAOYSA-N
MW425.28 g/mol
LogP5.65
Rot. Bonds4

About 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone

1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone (PubChem CID 141407143) has the molecular formula C21H14Cl2N4O2 and a molecular weight of 425.28 g/mol. Its IUPAC name is 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone
PubChem CID141407143
Molecular FormulaC21H14Cl2N4O2
Molecular Weight425.28 g/mol
Exact Mass424.05
IUPAC Name1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1cccnc1
InChIInChI=1S/C21H14Cl2N4O2/c1-11(28)14-10-25-18-5-4-17(12-7-15(22)21(29)16(23)8-12)27-20(18)19(14)26-13-3-2-6-24-9-13/h2-10,29H,1H3,(H,25,26)
InChIKeySAOOGYNENUSWCF-UHFFFAOYSA-N
XLogP5.65
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.28
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone 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

1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,5-naphthyridin-3-yl]ethanone;methane
CID 157117379
N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide
CID 136927281
[1-[[4-[[3-acetyl-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 136927340
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]ethanone;methane
CID 161262568
tert-butyl N-[(3R)-1-[5-[[6-(3,5-dichloro-4-hydroxyphenyl)-3-propanoyl-1,5-naphthyridin-4-yl]amino]-2-pyridinyl]piperidin-3-yl]carbamate
CID 136981883
[1-[[4-[[3-acetyl-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]amino]-3-methyl-1-oxobutan-2-yl]-tert-butylcarbamic acid
CID 136927350
1-[4-[[4-[[(dimethylamino)methyl-methylamino]methyl]cyclohexyl]amino]-6-(4-hydroxy-3,5-dimethylphenyl)-1,5-naphthyridin-3-yl]ethanone
CID 142770908
4-methyl-2-(pyridin-3-ylamino)pyrimidine-5-carboxylic acid
CID 83181577
1-[4-[3-(2-aminoethyl)anilino]-6-(3-chloro-5-fluoro-4-hydroxyphenyl)quinolin-3-yl]ethanone
CID 123461220
4-[[3-acetyl-6-(3-chloro-4-hydroxy-5-methoxyphenyl)quinolin-4-yl]amino]benzamide
CID 66715099
1-[4-[[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]amino]-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-3-yl]-2,2,3-trichloropropan-1-one
CID 136927215
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone (CID 141407143) is 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone is CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1cccnc1.
What is the InChIKey of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is SAOOGYNENUSWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O2/c1-11(28)14-10-25-18-5-4-17(12-7-15(22)21(29)16(23)8-12)27-20(18)19(14)26-13-3-2-6-24-9-13/h2-10,29H,1H3,(H,25,26).
What are the key properties of 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone?
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 425.28 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 141407143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).