[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C18H20BrN3O — CID 109205215

IUPAC[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Nc3ccccc3Br)ccn2)CC1
InChIInChI=1S/C18H20BrN3O/c1-13-7-10-22(11-8-13)18(23)17-12-14(6-9-20-17)21-16-5-3-2-4-15(16)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,20,21)
InChIKeyAZRRHFDPFKKNEJ-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.46
Rot. Bonds3

About [4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109205215) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is [4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109205215
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Nc3ccccc3Br)ccn2)CC1
InChIInChI=1S/C18H20BrN3O/c1-13-7-10-22(11-8-13)18(23)17-12-14(6-9-20-17)21-16-5-3-2-4-15(16)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,20,21)
InChIKeyAZRRHFDPFKKNEJ-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205152
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109205195
[4-(3,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205154
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
[4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205100
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218137
[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205080
4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216912

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109205215) is [4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Nc3ccccc3Br)ccn2)CC1.
What is the InChIKey of [4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is AZRRHFDPFKKNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-13-7-10-22(11-8-13)18(23)17-12-14(6-9-20-17)21-16-5-3-2-4-15(16)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,20,21).
What are the key properties of [4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 374.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109205215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).