8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide

C22H27BrN4O3 — CID 167937455

IUPAC8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
SMILESCC1CCN(C(=O)C2CCC(O)CC2)CC1NC(=O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C22H27BrN4O3/c1-13-8-9-27(22(30)14-2-5-16(28)6-3-14)12-19(13)26-21(29)18-7-4-15-10-24-11-17(23)20(15)25-18/h4,7,10-11,13-14,16,19,28H,2-3,5-6,8-9,12H2,1H3,(H,26,29)
InChIKeyFOZMAEZYDYTNJB-UHFFFAOYSA-N
MW475.39 g/mol
LogP2.91
Rot. Bonds3

About 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide

8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide (PubChem CID 167937455) has the molecular formula C22H27BrN4O3 and a molecular weight of 475.39 g/mol. Its IUPAC name is 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
PubChem CID167937455
Molecular FormulaC22H27BrN4O3
Molecular Weight475.39 g/mol
Exact Mass474.13
IUPAC Name8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
SMILESCC1CCN(C(=O)C2CCC(O)CC2)CC1NC(=O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C22H27BrN4O3/c1-13-8-9-27(22(30)14-2-5-16(28)6-3-14)12-19(13)26-21(29)18-7-4-15-10-24-11-17(23)20(15)25-18/h4,7,10-11,13-14,16,19,28H,2-3,5-6,8-9,12H2,1H3,(H,26,29)
InChIKeyFOZMAEZYDYTNJB-UHFFFAOYSA-N
XLogP2.91
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide 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

8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167926638
8-bromo-N-[1-[(E)-2,3-dimethylpent-2-enoyl]-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167777314
8-bromo-N-[1-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167924503
8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167988612
8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167977351
8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167770047
8-bromo-N-(4-hydroxy-3-methylcyclohexyl)-1,6-naphthyridine-2-carboxamide
CID 167884262
8-bromo-N-[(2R,3R)-1-(1,3-dithiolane-2-carbonyl)-2-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167764026
8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
CID 167896791
8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
CID 167823498
8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide
CID 167795548
8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167886309

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide (CID 167937455) is 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide is CC1CCN(C(=O)C2CCC(O)CC2)CC1NC(=O)c1ccc2cncc(Br)c2n1.
What is the InChIKey of 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is FOZMAEZYDYTNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN4O3/c1-13-8-9-27(22(30)14-2-5-16(28)6-3-14)12-19(13)26-21(29)18-7-4-15-10-24-11-17(23)20(15)25-18/h4,7,10-11,13-14,16,19,28H,2-3,5-6,8-9,12H2,1H3,(H,26,29).
What are the key properties of 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 475.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167937455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).