N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide

C18H21BrN2O — CID 52633198

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(C)nc1)[C@H](C)c1ccccc1Br
InChIInChI=1S/C18H21BrN2O/c1-4-11-21(14(3)16-7-5-6-8-17(16)19)18(22)15-10-9-13(2)20-12-15/h5-10,12,14H,4,11H2,1-3H3/t14-/m1/s1
InChIKeyJFWBNNJHAGUZBW-CQSZACIVSA-N
MW361.28 g/mol
LogP4.77
Rot. Bonds5

About N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide

N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide (PubChem CID 52633198) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide
PubChem CID52633198
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(C)nc1)[C@H](C)c1ccccc1Br
InChIInChI=1S/C18H21BrN2O/c1-4-11-21(14(3)16-7-5-6-8-17(16)19)18(22)15-10-9-13(2)20-12-15/h5-10,12,14H,4,11H2,1-3H3/t14-/m1/s1
InChIKeyJFWBNNJHAGUZBW-CQSZACIVSA-N
XLogP4.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide (CID 52633198) is N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide is CCCN(C(=O)c1ccc(C)nc1)[C@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide?
The InChIKey is JFWBNNJHAGUZBW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-4-11-21(14(3)16-7-5-6-8-17(16)19)18(22)15-10-9-13(2)20-12-15/h5-10,12,14H,4,11H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide has a molecular weight of 361.28 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 52633198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).