8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide

C23H22Br2N4O2 — CID 167977351

IUPAC8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc(Br)c(C(=O)N2CCC(C)C(NC(=O)c3ccc4cncc(Br)c4n3)C2)c1
InChIInChI=1S/C23H22Br2N4O2/c1-13-3-5-17(24)16(9-13)23(31)29-8-7-14(2)20(12-29)28-22(30)19-6-4-15-10-26-11-18(25)21(15)27-19/h3-6,9-11,14,20H,7-8,12H2,1-2H3,(H,28,30)
InChIKeyGDZVJXJEWRCJGG-UHFFFAOYSA-N
MW546.26 g/mol
LogP4.74
Rot. Bonds3

About 8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide

8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide (PubChem CID 167977351) has the molecular formula C23H22Br2N4O2 and a molecular weight of 546.26 g/mol. Its IUPAC name is 8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
PubChem CID167977351
Molecular FormulaC23H22Br2N4O2
Molecular Weight546.26 g/mol
Exact Mass544.01
IUPAC Name8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc(Br)c(C(=O)N2CCC(C)C(NC(=O)c3ccc4cncc(Br)c4n3)C2)c1
InChIInChI=1S/C23H22Br2N4O2/c1-13-3-5-17(24)16(9-13)23(31)29-8-7-14(2)20(12-29)28-22(30)19-6-4-15-10-26-11-18(25)21(15)27-19/h3-6,9-11,14,20H,7-8,12H2,1-2H3,(H,28,30)
InChIKeyGDZVJXJEWRCJGG-UHFFFAOYSA-N
XLogP4.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.26
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167924503
8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167770047
8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167988612
8-bromo-N-[1-[(E)-2,3-dimethylpent-2-enoyl]-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167777314
(2-bromo-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81005616
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-(4-hydroxy-3-methylcyclohexyl)-1,6-naphthyridine-2-carboxamide
CID 167884262
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-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide (CID 167977351) is 8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide is Cc1ccc(Br)c(C(=O)N2CCC(C)C(NC(=O)c3ccc4cncc(Br)c4n3)C2)c1.
What is the InChIKey of 8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is GDZVJXJEWRCJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2N4O2/c1-13-3-5-17(24)16(9-13)23(31)29-8-7-14(2)20(12-29)28-22(30)19-6-4-15-10-26-11-18(25)21(15)27-19/h3-6,9-11,14,20H,7-8,12H2,1-2H3,(H,28,30).
What are the key properties of 8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 546.26 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167977351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).