1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone

C26H32N4O2 — CID 71666639

IUPAC1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone
SMILESCOc1ccc(-c2ccc3ncc(C(C)=O)c(NC4CCC(CN(C)C)CC4)c3n2)cc1
InChIInChI=1S/C26H32N4O2/c1-17(31)22-15-27-24-14-13-23(19-7-11-21(32-4)12-8-19)29-26(24)25(22)28-20-9-5-18(6-10-20)16-30(2)3/h7-8,11-15,18,20H,5-6,9-10,16H2,1-4H3,(H,27,28)
InChIKeyFZLOBXDRCULHHA-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.04
Rot. Bonds7

About 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone

1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone (PubChem CID 71666639) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone
PubChem CID71666639
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone
SMILESCOc1ccc(-c2ccc3ncc(C(C)=O)c(NC4CCC(CN(C)C)CC4)c3n2)cc1
InChIInChI=1S/C26H32N4O2/c1-17(31)22-15-27-24-14-13-23(19-7-11-21(32-4)12-8-19)29-26(24)25(22)28-20-9-5-18(6-10-20)16-30(2)3/h7-8,11-15,18,20H,5-6,9-10,16H2,1-4H3,(H,27,28)
InChIKeyFZLOBXDRCULHHA-UHFFFAOYSA-N
XLogP5.04
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-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-[4-[[4-[[(dimethylamino)methyl-methylamino]methyl]cyclohexyl]amino]-6-(4-hydroxy-3,5-dimethylphenyl)-1,5-naphthyridin-3-yl]ethanone
CID 142770908
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-hydroxyphenyl)quinolin-3-yl]ethanone;hydrochloride
CID 162327792
2-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]-2-oxoacetic acid
CID 150030163
5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile
CID 152612011
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]ethanone;methane
CID 161417725
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
[6-bromo-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 66715679
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]propan-1-one
CID 66716872
[6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]-cyclopentylmethanone;hydrochloride
CID 162337375
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[2-(dimethylamino)ethyl]cyclohexyl]amino]quinolin-3-yl]ethanone;hydrochloride
CID 66716086
N-cyclopropyl-5-methoxypyridin-2-amine
CID 106503930

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone (CID 71666639) is 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone is COc1ccc(-c2ccc3ncc(C(C)=O)c(NC4CCC(CN(C)C)CC4)c3n2)cc1.
What is the InChIKey of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is FZLOBXDRCULHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-17(31)22-15-27-24-14-13-23(19-7-11-21(32-4)12-8-19)29-26(24)25(22)28-20-9-5-18(6-10-20)16-30(2)3/h7-8,11-15,18,20H,5-6,9-10,16H2,1-4H3,(H,27,28).
What are the key properties of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone?
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 432.57 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-methoxyphenyl)-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 71666639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).