8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide

C22H25BrN4O2 — CID 167770047

IUPAC8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
SMILESCC1=C(C(=O)N2CCC(C)C(NC(=O)c3ccc4cncc(Br)c4n3)C2)CCC1
InChIInChI=1S/C22H25BrN4O2/c1-13-4-3-5-16(13)22(29)27-9-8-14(2)19(12-27)26-21(28)18-7-6-15-10-24-11-17(23)20(15)25-18/h6-7,10-11,14,19H,3-5,8-9,12H2,1-2H3,(H,26,28)
InChIKeyUZVCHMXNXBHFNS-UHFFFAOYSA-N
MW457.37 g/mol
LogP3.86
Rot. Bonds3

About 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide

8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide (PubChem CID 167770047) has the molecular formula C22H25BrN4O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
PubChem CID167770047
Molecular FormulaC22H25BrN4O2
Molecular Weight457.37 g/mol
Exact Mass456.12
IUPAC Name8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
SMILESCC1=C(C(=O)N2CCC(C)C(NC(=O)c3ccc4cncc(Br)c4n3)C2)CCC1
InChIInChI=1S/C22H25BrN4O2/c1-13-4-3-5-16(13)22(29)27-9-8-14(2)19(12-27)26-21(28)18-7-6-15-10-24-11-17(23)20(15)25-18/h6-7,10-11,14,19H,3-5,8-9,12H2,1-2H3,(H,26,28)
InChIKeyUZVCHMXNXBHFNS-UHFFFAOYSA-N
XLogP3.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide with MolForge

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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-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167977351
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-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167937455
8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
CID 167823498
8-bromo-N-[1-[(E)-2,3-dimethylpent-2-enoyl]-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167777314
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-(4-hydroxy-3-methylcyclohexyl)-1,6-naphthyridine-2-carboxamide
CID 167884262
8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide
CID 167795548
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide
CID 167924565

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide (CID 167770047) is 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide is CC1=C(C(=O)N2CCC(C)C(NC(=O)c3ccc4cncc(Br)c4n3)C2)CCC1.
What is the InChIKey of 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is UZVCHMXNXBHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O2/c1-13-4-3-5-16(13)22(29)27-9-8-14(2)19(12-27)26-21(28)18-7-6-15-10-24-11-17(23)20(15)25-18/h6-7,10-11,14,19H,3-5,8-9,12H2,1-2H3,(H,26,28).
What are the key properties of 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 457.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167770047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).