N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide

C19H22BrN3O — CID 71888332

IUPACN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C19H22BrN3O/c1-23(2)17-16(8-4-11-21-17)18(24)22-13-19(9-5-10-19)14-6-3-7-15(20)12-14/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3,(H,22,24)
InChIKeyLRSYYTAMWDOZEB-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.76
Rot. Bonds5

About N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide

N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 71888332) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID71888332
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C19H22BrN3O/c1-23(2)17-16(8-4-11-21-17)18(24)22-13-19(9-5-10-19)14-6-3-7-15(20)12-14/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3,(H,22,24)
InChIKeyLRSYYTAMWDOZEB-UHFFFAOYSA-N
XLogP3.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide (CID 71888332) is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)NCC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is LRSYYTAMWDOZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-23(2)17-16(8-4-11-21-17)18(24)22-13-19(9-5-10-19)14-6-3-7-15(20)12-14/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3,(H,22,24).
What are the key properties of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide?
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 71888332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).