6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide

C19H21BrN2O2 — CID 55631668

IUPAC6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)NCCC1CCCO1
InChIInChI=1S/C19H21BrN2O2/c1-13-17(19(23)21-10-9-16-6-3-11-24-16)7-8-18(22-13)14-4-2-5-15(20)12-14/h2,4-5,7-8,12,16H,3,6,9-11H2,1H3,(H,21,23)
InChIKeyLEQSGPLXLGNCBU-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.12
Rot. Bonds5

About 6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide

6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 55631668) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID55631668
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)NCCC1CCCO1
InChIInChI=1S/C19H21BrN2O2/c1-13-17(19(23)21-10-9-16-6-3-11-24-16)7-8-18(22-13)14-4-2-5-15(20)12-14/h2,4-5,7-8,12,16H,3,6,9-11H2,1H3,(H,21,23)
InChIKeyLEQSGPLXLGNCBU-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-6-phenylpyridine-3-carboxamide
CID 97002216
6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 27017500
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 86847145
2-oxo-N-[2-[(2R)-oxolan-2-yl]ethyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95976361
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
CID 122556166
5-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 61126144
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
5-O-methyl 3-O-(oxolan-2-ylmethyl) 4-(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 22898678
6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 43038503

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide (CID 55631668) is 6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NCCC1CCCO1.
What is the InChIKey of 6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is LEQSGPLXLGNCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-17(19(23)21-10-9-16-6-3-11-24-16)7-8-18(22-13)14-4-2-5-15(20)12-14/h2,4-5,7-8,12,16H,3,6,9-11H2,1H3,(H,21,23).
What are the key properties of 6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55631668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).