[2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone

C18H20BrN3O — CID 109166192

IUPAC[2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cc(Nc2cc(C(=O)N3CCCCC3)ccn2)ccc1Br
InChIInChI=1S/C18H20BrN3O/c1-13-11-15(5-6-16(13)19)21-17-12-14(7-8-20-17)18(23)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21)
InChIKeyWXZTUTGOIQTWIC-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.52
Rot. Bonds3

About [2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone

[2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109166192) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is [2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109166192
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name[2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cc(Nc2cc(C(=O)N3CCCCC3)ccn2)ccc1Br
InChIInChI=1S/C18H20BrN3O/c1-13-11-15(5-6-16(13)19)21-17-12-14(7-8-20-17)18(23)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21)
InChIKeyWXZTUTGOIQTWIC-UHFFFAOYSA-N
XLogP4.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[2-(3-bromo-4-methylanilino)-4-pyridinyl]methanone
CID 109176020
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181936
azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone
CID 109176053
[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173972
[2-(3-bromoanilino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109168528
[2-(4-bromo-3-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321881
2-(4-bromo-3-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175383
[2-(3-bromo-4-methylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249324
aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 53132213
azepan-1-yl-[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146063835

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone (CID 109166192) is [2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone is Cc1cc(Nc2cc(C(=O)N3CCCCC3)ccn2)ccc1Br.
What is the InChIKey of [2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is WXZTUTGOIQTWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-13-11-15(5-6-16(13)19)21-17-12-14(7-8-20-17)18(23)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone?
[2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 374.28 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109166192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).