N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C19H21BrClN3O2 — CID 60581329

IUPACN-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H21BrClN3O2/c1-12-9-14(20)10-16(26-2)18(12)23-19(25)13-5-7-24(8-6-13)17-4-3-15(21)11-22-17/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,25)
InChIKeyXMGYKIMNUGXEKQ-UHFFFAOYSA-N
MW438.75 g/mol
LogP4.67
Rot. Bonds4

About N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 60581329) has the molecular formula C19H21BrClN3O2 and a molecular weight of 438.75 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID60581329
Molecular FormulaC19H21BrClN3O2
Molecular Weight438.75 g/mol
Exact Mass437.05
IUPAC NameN-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H21BrClN3O2/c1-12-9-14(20)10-16(26-2)18(12)23-19(25)13-5-7-24(8-6-13)17-4-3-15(21)11-22-17/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,25)
InChIKeyXMGYKIMNUGXEKQ-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 39466788
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55783863
1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
CID 126781633
1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55887177
1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359803
(4-bromo-2-fluorophenyl) 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylate
CID 55687990
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 55876832
1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122077474
methyl 3-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 38967933
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 60581329) is N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is COc1cc(Br)cc(C)c1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is XMGYKIMNUGXEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O2/c1-12-9-14(20)10-16(26-2)18(12)23-19(25)13-5-7-24(8-6-13)17-4-3-15(21)11-22-17/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,25).
What are the key properties of N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 438.75 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 60581329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).