(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C15H16BrN3O — CID 97331831

IUPAC(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(Cc1cccnc1)[C@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-19(10-11-4-3-7-18-9-11)14(15(17)20)12-5-2-6-13(16)8-12/h2-9,14H,10H2,1H3,(H2,17,20)/t14-/m0/s1
InChIKeyQHPPMHXMNSNJAC-AWEZNQCLSA-N
MW334.22 g/mol
LogP2.50
Rot. Bonds5

About (2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 97331831) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID97331831
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(Cc1cccnc1)[C@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-19(10-11-4-3-7-18-9-11)14(15(17)20)12-5-2-6-13(16)8-12/h2-9,14H,10H2,1H3,(H2,17,20)/t14-/m0/s1
InChIKeyQHPPMHXMNSNJAC-AWEZNQCLSA-N
XLogP2.50
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 129392791
2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide
CID 142792081
(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide
CID 124626246
2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide
CID 142791812
(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide
CID 97329664
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
2-(3-chlorophenyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142791990
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 95690418
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038
N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 122158945

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of (2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 97331831) is (2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for (2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is CN(Cc1cccnc1)[C@H](C(N)=O)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is QHPPMHXMNSNJAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(10-11-4-3-7-18-9-11)14(15(17)20)12-5-2-6-13(16)8-12/h2-9,14H,10H2,1H3,(H2,17,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 334.22 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 97331831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).