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

C22H20BrFN4O2 — CID 167988612

IUPAC8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
SMILESCC1CCN(C(=O)c2ccc(F)cc2)CC1NC(=O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C22H20BrFN4O2/c1-13-8-9-28(22(30)14-2-5-16(24)6-3-14)12-19(13)27-21(29)18-7-4-15-10-25-11-17(23)20(15)26-18/h2-7,10-11,13,19H,8-9,12H2,1H3,(H,27,29)
InChIKeyHQDATTYLIOYVFM-UHFFFAOYSA-N
MW471.33 g/mol
LogP3.81
Rot. Bonds3

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

8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide (PubChem CID 167988612) has the molecular formula C22H20BrFN4O2 and a molecular weight of 471.33 g/mol. Its IUPAC name is 8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
PubChem CID167988612
Molecular FormulaC22H20BrFN4O2
Molecular Weight471.33 g/mol
Exact Mass470.08
IUPAC Name8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
SMILESCC1CCN(C(=O)c2ccc(F)cc2)CC1NC(=O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C22H20BrFN4O2/c1-13-8-9-28(22(30)14-2-5-16(24)6-3-14)12-19(13)27-21(29)18-7-4-15-10-25-11-17(23)20(15)26-18/h2-7,10-11,13,19H,8-9,12H2,1H3,(H,27,29)
InChIKeyHQDATTYLIOYVFM-UHFFFAOYSA-N
XLogP3.81
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 53.81
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-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167977351
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-(4-hydroxy-3-methylcyclohexyl)-1,6-naphthyridine-2-carboxamide
CID 167884262
8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167886309
8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
CID 167823498
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide
CID 167924565
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide
CID 167758389
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 144819110

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide (CID 167988612) is 8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide is CC1CCN(C(=O)c2ccc(F)cc2)CC1NC(=O)c1ccc2cncc(Br)c2n1.
What is the InChIKey of 8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is HQDATTYLIOYVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN4O2/c1-13-8-9-28(22(30)14-2-5-16(24)6-3-14)12-19(13)27-21(29)18-7-4-15-10-25-11-17(23)20(15)26-18/h2-7,10-11,13,19H,8-9,12H2,1H3,(H,27,29).
What are the key properties of 8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide?
8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 471.33 g/mol, XLogP of 3.81, 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-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167988612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).