8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one

C28H31N7O2 — CID 66888620

IUPAC8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
SMILESCCNCC(=O)N1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4cc[nH]c(=O)c34)cc2C)CC1
InChIInChI=1S/C28H31N7O2/c1-3-29-16-25(36)35-10-7-19(8-11-35)23-5-4-22(12-18(23)2)33-27-26-20(6-9-32-28(26)37)13-24(34-27)21-14-30-17-31-15-21/h4-6,9,12-15,17,19,29H,3,7-8,10-11,16H2,1-2H3,(H,32,37)(H,33,34)
InChIKeyYOCWUWMANWSTAT-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.75
Rot. Bonds7

About 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one

8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one (PubChem CID 66888620) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
PubChem CID66888620
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC Name8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
SMILESCCNCC(=O)N1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4cc[nH]c(=O)c34)cc2C)CC1
InChIInChI=1S/C28H31N7O2/c1-3-29-16-25(36)35-10-7-19(8-11-35)23-5-4-22(12-18(23)2)33-27-26-20(6-9-32-28(26)37)13-24(34-27)21-14-30-17-31-15-21/h4-6,9,12-15,17,19,29H,3,7-8,10-11,16H2,1-2H3,(H,32,37)(H,33,34)
InChIKeyYOCWUWMANWSTAT-UHFFFAOYSA-N
XLogP3.75
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one 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

6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(1-pentanoylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58093953
6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094116
8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 58166700
tert-butyl 4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidine-1-carboxylate
CID 66925689
methyl 2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanoate
CID 58167458
8-[4-(4-hydroxypiperidin-1-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094084
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 143841447
3-methoxy-2,2-dimethylpropanoic acid;8-[4-[1-(3-methoxy-2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylanilino]-6-(6-methylpyrazin-2-yl)-2H-2,7-naphthyridin-1-one;8-(3-methyl-4-piperidin-4-ylanilino)-6-(6-methylpyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 161345597
2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide
CID 123875847
3-[4-[4-[[3-(2-aminopyrimidin-4-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanenitrile
CID 58167296
6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58093719
6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 143841231

Frequently Asked Questions

What is the IUPAC name of 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one (CID 66888620) is 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one is CCNCC(=O)N1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4cc[nH]c(=O)c34)cc2C)CC1.
What is the InChIKey of 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The InChIKey is YOCWUWMANWSTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c1-3-29-16-25(36)35-10-7-19(8-11-35)23-5-4-22(12-18(23)2)33-27-26-20(6-9-32-28(26)37)13-24(34-27)21-14-30-17-31-15-21/h4-6,9,12-15,17,19,29H,3,7-8,10-11,16H2,1-2H3,(H,32,37)(H,33,34).
What are the key properties of 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one has a molecular weight of 497.60 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[1-[2-(ethylamino)acetyl]piperidin-4-yl]-3-methylanilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).