N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide

C25H27Cl2N5O3 — CID 136927281

IUPACN-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide
SMILESCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1NC1CCC(NC(=O)C(C)N)CC1
InChIInChI=1S/C25H27Cl2N5O3/c1-12(28)25(35)31-16-5-3-15(4-6-16)30-22-17(13(2)33)11-29-21-8-7-20(32-23(21)22)14-9-18(26)24(34)19(27)10-14/h7-12,15-16,34H,3-6,28H2,1-2H3,(H,29,30)(H,31,35)
InChIKeyRJYNFYGFBNBUJV-UHFFFAOYSA-N
MW516.43 g/mol
LogP4.70
Rot. Bonds6

About N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide

N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide (PubChem CID 136927281) has the molecular formula C25H27Cl2N5O3 and a molecular weight of 516.43 g/mol. Its IUPAC name is N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide.

Molecular Properties

Compound NameN-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide
PubChem CID136927281
Molecular FormulaC25H27Cl2N5O3
Molecular Weight516.43 g/mol
Exact Mass515.15
IUPAC NameN-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide
SMILESCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1NC1CCC(NC(=O)C(C)N)CC1
InChIInChI=1S/C25H27Cl2N5O3/c1-12(28)25(35)31-16-5-3-15(4-6-16)30-22-17(13(2)33)11-29-21-8-7-20(32-23(21)22)14-9-18(26)24(34)19(27)10-14/h7-12,15-16,34H,3-6,28H2,1-2H3,(H,29,30)(H,31,35)
InChIKeyRJYNFYGFBNBUJV-UHFFFAOYSA-N
XLogP4.70
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.43
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

[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-[[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
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-(pyridin-3-ylamino)-1,5-naphthyridin-3-yl]ethanone
CID 141407143
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone
CID 141407148
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone
CID 136927299
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,5-naphthyridin-3-yl]ethanone;methane
CID 157117379
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone
CID 71666639
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-(piperidin-1-ylmethyl)cyclohexyl]amino]quinolin-3-yl]ethanone
CID 148973669
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(cyclohexylamino)quinolin-3-yl]ethanone
CID 123548412
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[2-(dimethylamino)ethyl]cyclohexyl]amino]quinolin-3-yl]ethanone;hydrochloride
CID 66716086
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]ethanone;methane
CID 161417725

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide?
The IUPAC name of N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide (CID 136927281) is N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide.
What is the SMILES notation for N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide?
The canonical SMILES for N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide is CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1NC1CCC(NC(=O)C(C)N)CC1.
What is the InChIKey of N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide?
The InChIKey is RJYNFYGFBNBUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N5O3/c1-12(28)25(35)31-16-5-3-15(4-6-16)30-22-17(13(2)33)11-29-21-8-7-20(32-23(21)22)14-9-18(26)24(34)19(27)10-14/h7-12,15-16,34H,3-6,28H2,1-2H3,(H,29,30)(H,31,35).
What are the key properties of N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide?
N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide has a molecular weight of 516.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide is sourced from PubChem (CID 136927281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).