N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide

C17H19BrN4O — CID 167924565

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide
SMILESO=C(NC1CCCC2CNCC21)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C17H19BrN4O/c18-13-9-20-7-11-4-5-15(21-16(11)13)17(23)22-14-3-1-2-10-6-19-8-12(10)14/h4-5,7,9-10,12,14,19H,1-3,6,8H2,(H,22,23)
InChIKeyJQBUXBNKVUNGHL-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.51
Rot. Bonds2

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide (PubChem CID 167924565) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide
PubChem CID167924565
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide
SMILESO=C(NC1CCCC2CNCC21)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C17H19BrN4O/c18-13-9-20-7-11-4-5-15(21-16(11)13)17(23)22-14-3-1-2-10-6-19-8-12(10)14/h4-5,7,9-10,12,14,19H,1-3,6,8H2,(H,22,23)
InChIKeyJQBUXBNKVUNGHL-UHFFFAOYSA-N
XLogP2.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167886309
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-[(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-[1-[(E)-2,3-dimethylpent-2-enoyl]-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167777314
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-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167926638
8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide
CID 167758389
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 N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide (CID 167924565) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide is O=C(NC1CCCC2CNCC21)c1ccc2cncc(Br)c2n1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide?
The InChIKey is JQBUXBNKVUNGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c18-13-9-20-7-11-4-5-15(21-16(11)13)17(23)22-14-3-1-2-10-6-19-8-12(10)14/h4-5,7,9-10,12,14,19H,1-3,6,8H2,(H,22,23).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167924565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).