(2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide

C19H21BrClN3O2 — CID 155512656

IUPAC(2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCN(c3ncccc3Br)[C@@H](C)C2)cc1Cl
InChIInChI=1S/C19H21BrClN3O2/c1-12-10-13(7-9-24(12)18-15(20)4-3-8-22-18)19(25)23-14-5-6-17(26-2)16(21)11-14/h3-6,8,11-13H,7,9-10H2,1-2H3,(H,23,25)/t12-,13+/m0/s1
InChIKeyHZCJWMYCYMDXPI-QWHCGFSZSA-N
MW438.75 g/mol
LogP4.75
Rot. Bonds4

About (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide

(2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 155512656) has the molecular formula C19H21BrClN3O2 and a molecular weight of 438.75 g/mol. Its IUPAC name is (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide
PubChem CID155512656
Molecular FormulaC19H21BrClN3O2
Molecular Weight438.75 g/mol
Exact Mass437.05
IUPAC Name(2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCN(c3ncccc3Br)[C@@H](C)C2)cc1Cl
InChIInChI=1S/C19H21BrClN3O2/c1-12-10-13(7-9-24(12)18-15(20)4-3-8-22-18)19(25)23-14-5-6-17(26-2)16(21)11-14/h3-6,8,11-13H,7,9-10H2,1-2H3,(H,23,25)/t12-,13+/m0/s1
InChIKeyHZCJWMYCYMDXPI-QWHCGFSZSA-N
XLogP4.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.75
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 155546978
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
(2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 155538063
N-(3-chloro-4-methoxyphenyl)-1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 155537366
N-(3-chloro-4-methoxyphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333880
N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 155539322
N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide
CID 155544056
N-(3-chloro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170445
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 155566952
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide (CID 155512656) is (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide is COc1ccc(NC(=O)[C@@H]2CCN(c3ncccc3Br)[C@@H](C)C2)cc1Cl.
What is the InChIKey of (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is HZCJWMYCYMDXPI-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H21BrClN3O2/c1-12-10-13(7-9-24(12)18-15(20)4-3-8-22-18)19(25)23-14-5-6-17(26-2)16(21)11-14/h3-6,8,11-13H,7,9-10H2,1-2H3,(H,23,25)/t12-,13+/m0/s1.
What are the key properties of (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide?
(2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 438.75 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155512656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).