8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide

C16H18BrN3O — CID 167795548

IUPAC8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide
SMILESCC1(C)CCCC1NC(=O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C16H18BrN3O/c1-16(2)7-3-4-13(16)20-15(21)12-6-5-10-8-18-9-11(17)14(10)19-12/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyHUBYCSOTRIRXLP-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.70
Rot. Bonds2

About 8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide

8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 167795548) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide
PubChem CID167795548
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide
SMILESCC1(C)CCCC1NC(=O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C16H18BrN3O/c1-16(2)7-3-4-13(16)20-15(21)12-6-5-10-8-18-9-11(17)14(10)19-12/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyHUBYCSOTRIRXLP-UHFFFAOYSA-N
XLogP3.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide
CID 115498008
5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120692079
8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide
CID 167758389
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide
CID 167924565
1-(3-bromo-4-pyridinyl)-3-(2,2-dimethylcyclopentyl)urea
CID 136521847
8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167886309
8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167977351
8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167926638
8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167770047

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide (CID 167795548) is 8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide is CC1(C)CCCC1NC(=O)c1ccc2cncc(Br)c2n1.
What is the InChIKey of 8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is HUBYCSOTRIRXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-16(2)7-3-4-13(16)20-15(21)12-6-5-10-8-18-9-11(17)14(10)19-12/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,20,21).
What are the key properties of 8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide?
8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167795548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).