(2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide

C19H22BrN3O2 — CID 97245159

IUPAC(2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide
SMILESC[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCCc1ccccn1
InChIInChI=1S/C19H22BrN3O2/c1-14-18(15-5-7-16(20)8-6-15)25-13-12-23(14)19(24)22-11-9-17-4-2-3-10-21-17/h2-8,10,14,18H,9,11-13H2,1H3,(H,22,24)/t14-,18-/m0/s1
InChIKeySKLPETMCGXBXAN-KSSFIOAISA-N
MW404.31 g/mol
LogP3.56
Rot. Bonds4

About (2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide

(2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide (PubChem CID 97245159) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is (2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide
PubChem CID97245159
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name(2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide
SMILESC[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCCc1ccccn1
InChIInChI=1S/C19H22BrN3O2/c1-14-18(15-5-7-16(20)8-6-15)25-13-12-23(14)19(24)22-11-9-17-4-2-3-10-21-17/h2-8,10,14,18H,9,11-13H2,1H3,(H,22,24)/t14-,18-/m0/s1
InChIKeySKLPETMCGXBXAN-KSSFIOAISA-N
XLogP3.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 29352994
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 125235405
2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 51164070
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 98344931
4-methylsulfonyl-N-(2-pyridin-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 119069721
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide?
The IUPAC name of (2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide (CID 97245159) is (2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide is C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCCc1ccccn1.
What is the InChIKey of (2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide?
The InChIKey is SKLPETMCGXBXAN-KSSFIOAISA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-14-18(15-5-7-16(20)8-6-15)25-13-12-23(14)19(24)22-11-9-17-4-2-3-10-21-17/h2-8,10,14,18H,9,11-13H2,1H3,(H,22,24)/t14-,18-/m0/s1.
What are the key properties of (2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide?
(2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide has a molecular weight of 404.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 97245159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).