6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

C23H23BrN4O2 — CID 43038503

IUPAC6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H23BrN4O2/c1-16-20(6-7-21(27-16)18-3-2-4-19(24)13-18)23(29)26-15-17-5-8-22(25-14-17)28-9-11-30-12-10-28/h2-8,13-14H,9-12,15H2,1H3,(H,26,29)
InChIKeyZHHZHTOCFVDEEZ-UHFFFAOYSA-N
MW467.37 g/mol
LogP3.98
Rot. Bonds5

About 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 43038503) has the molecular formula C23H23BrN4O2 and a molecular weight of 467.37 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID43038503
Molecular FormulaC23H23BrN4O2
Molecular Weight467.37 g/mol
Exact Mass466.10
IUPAC Name6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H23BrN4O2/c1-16-20(6-7-21(27-16)18-3-2-4-19(24)13-18)23(29)26-15-17-5-8-22(25-14-17)28-9-11-30-12-10-28/h2-8,13-14H,9-12,15H2,1H3,(H,26,29)
InChIKeyZHHZHTOCFVDEEZ-UHFFFAOYSA-N
XLogP3.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 46494521
N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815991
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 51317105
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 18139639
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(propan-2-ylsulfamoyl)benzamide
CID 30354753
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide
CID 166208920
6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 55701075
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 43038503) is 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is ZHHZHTOCFVDEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O2/c1-16-20(6-7-21(27-16)18-3-2-4-19(24)13-18)23(29)26-15-17-5-8-22(25-14-17)28-9-11-30-12-10-28/h2-8,13-14H,9-12,15H2,1H3,(H,26,29).
What are the key properties of 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 467.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 43038503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).