[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C18H21BrN4O — CID 133481700

IUPAC[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ccnc3cc(Br)cnc23)CC1)N1CCCC1
InChIInChI=1S/C18H21BrN4O/c19-14-11-15-17(21-12-14)16(3-6-20-15)22-9-4-13(5-10-22)18(24)23-7-1-2-8-23/h3,6,11-13H,1-2,4-5,7-10H2
InChIKeyWWCVTELRJYIXNN-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.23
Rot. Bonds2

About [1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 133481700) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is [1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID133481700
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ccnc3cc(Br)cnc23)CC1)N1CCCC1
InChIInChI=1S/C18H21BrN4O/c19-14-11-15-17(21-12-14)16(3-6-20-15)22-9-4-13(5-10-22)18(24)23-7-1-2-8-23/h3,6,11-13H,1-2,4-5,7-10H2
InChIKeyWWCVTELRJYIXNN-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-bromo-1,5-naphthyridin-4-yl)-N-methylpiperidine-3-carboxamide
CID 104530089
1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 133482933
1-(7-bromo-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-ol
CID 114680866
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 133481788
[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 133481833
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
4-(7-bromo-1,5-naphthyridin-4-yl)-1,4-thiazepane
CID 113394491
3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine
CID 133482284
1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide
CID 75509889
3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine
CID 113394506
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420

Frequently Asked Questions

What is the IUPAC name of [1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 133481700) is [1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2ccnc3cc(Br)cnc23)CC1)N1CCCC1.
What is the InChIKey of [1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WWCVTELRJYIXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c19-14-11-15-17(21-12-14)16(3-6-20-15)22-9-4-13(5-10-22)18(24)23-7-1-2-8-23/h3,6,11-13H,1-2,4-5,7-10H2.
What are the key properties of [1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 389.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 133481700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).