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

C15H17BrN4O2 — CID 167886309

IUPAC8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(NC1CNCCC1CO)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C15H17BrN4O2/c16-11-6-18-5-9-1-2-12(19-14(9)11)15(22)20-13-7-17-4-3-10(13)8-21/h1-2,5-6,10,13,17,21H,3-4,7-8H2,(H,20,22)
InChIKeyXQMIUZOPNORTIS-UHFFFAOYSA-N
MW365.23 g/mol
LogP1.09
Rot. Bonds3

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

8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide (PubChem CID 167886309) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
PubChem CID167886309
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(NC1CNCCC1CO)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C15H17BrN4O2/c16-11-6-18-5-9-1-2-12(19-14(9)11)15(22)20-13-7-17-4-3-10(13)8-21/h1-2,5-6,10,13,17,21H,3-4,7-8H2,(H,20,22)
InChIKeyXQMIUZOPNORTIS-UHFFFAOYSA-N
XLogP1.09
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide
CID 167924565
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-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 71836746
8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide
CID 167795548
8-bromo-N-(4-hydroxy-3-methylcyclohexyl)-1,6-naphthyridine-2-carboxamide
CID 167884262
8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167988612
8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide
CID 167758389
8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167937455
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-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167926638
8-bromo-N-[(2R,3R)-1-(1,3-dithiolane-2-carbonyl)-2-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167764026

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide (CID 167886309) is 8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide is O=C(NC1CNCCC1CO)c1ccc2cncc(Br)c2n1.
What is the InChIKey of 8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is XQMIUZOPNORTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c16-11-6-18-5-9-1-2-12(19-14(9)11)15(22)20-13-7-17-4-3-10(13)8-21/h1-2,5-6,10,13,17,21H,3-4,7-8H2,(H,20,22).
What are the key properties of 8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167886309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).