[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C19H22BrN3O — CID 109175751

IUPAC[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)ccn2)c(Br)c1
InChIInChI=1S/C19H22BrN3O/c1-13-5-6-17(16(20)10-13)22-18-11-15(7-8-21-18)19(24)23-9-3-4-14(2)12-23/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,22)
InChIKeyUYICVSDZQPFNJX-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.77
Rot. Bonds3

About [2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109175751) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is [2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109175751
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)ccn2)c(Br)c1
InChIInChI=1S/C19H22BrN3O/c1-13-5-6-17(16(20)10-13)22-18-11-15(7-8-21-18)19(24)23-9-3-4-14(2)12-23/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,22)
InChIKeyUYICVSDZQPFNJX-UHFFFAOYSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288759
[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175732
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090374
[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175747
(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175729
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109175751) is [2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone is Cc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)ccn2)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is UYICVSDZQPFNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-13-5-6-17(16(20)10-13)22-18-11-15(7-8-21-18)19(24)23-9-3-4-14(2)12-23/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,22).
What are the key properties of [2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 388.31 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109175751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).