N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide

C23H25BrN4O2 — CID 46375170

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1
InChIInChI=1S/C23H25BrN4O2/c1-30-21-6-4-19(24)14-18(21)15-26-23(29)17-8-12-28(13-9-17)22-7-5-20(16-25-22)27-10-2-3-11-27/h2-7,10-11,14,16-17H,8-9,12-13,15H2,1H3,(H,26,29)
InChIKeyPCEFDOLZTQALNV-UHFFFAOYSA-N
MW469.38 g/mol
LogP4.18
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 46375170) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID46375170
Molecular FormulaC23H25BrN4O2
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1
InChIInChI=1S/C23H25BrN4O2/c1-30-21-6-4-19(24)14-18(21)15-26-23(29)17-8-12-28(13-9-17)22-7-5-20(16-25-22)27-10-2-3-11-27/h2-7,10-11,14,16-17H,8-9,12-13,15H2,1H3,(H,26,29)
InChIKeyPCEFDOLZTQALNV-UHFFFAOYSA-N
XLogP4.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771293
N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46375169
N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952197
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 52512867
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 71839287
N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118870
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359090
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328224
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
CID 110788021
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 110793478

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide (CID 46375170) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(Br)cc1CNC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is PCEFDOLZTQALNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c1-30-21-6-4-19(24)14-18(21)15-26-23(29)17-8-12-28(13-9-17)22-7-5-20(16-25-22)27-10-2-3-11-27/h2-7,10-11,14,16-17H,8-9,12-13,15H2,1H3,(H,26,29).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 469.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 46375170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).