(2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride

C14H21BrClN3O — CID 167527674

IUPAC(2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCC([C@H](N)C(=O)Nc2ccc(Br)cn2)CC1.Cl
InChIInChI=1S/C14H20BrN3O.ClH/c1-9-2-4-10(5-3-9)13(16)14(19)18-12-7-6-11(15)8-17-12;/h6-10,13H,2-5,16H2,1H3,(H,17,18,19);1H/t9?,10?,13-;/m0./s1
InChIKeyJAAPRQQCWJCONX-QGULLTGBSA-N
MW362.70 g/mol
LogP3.36
Rot. Bonds3

About (2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride

(2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride (PubChem CID 167527674) has the molecular formula C14H21BrClN3O and a molecular weight of 362.70 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride
PubChem CID167527674
Molecular FormulaC14H21BrClN3O
Molecular Weight362.70 g/mol
Exact Mass361.06
IUPAC Name(2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCC([C@H](N)C(=O)Nc2ccc(Br)cn2)CC1.Cl
InChIInChI=1S/C14H20BrN3O.ClH/c1-9-2-4-10(5-3-9)13(16)14(19)18-12-7-6-11(15)8-17-12;/h6-10,13H,2-5,16H2,1H3,(H,17,18,19);1H/t9?,10?,13-;/m0./s1
InChIKeyJAAPRQQCWJCONX-QGULLTGBSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-2-[(5-bromo-2-pyridinyl)amino]-1-(4-methylcyclohexyl)-2-oxoethyl]carbamate
CID 166889051
2-amino-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 168846568
2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 168846549
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357
N-(5-bromo-2-pyridinyl)-2,2-bis(4-chlorophenyl)acetamide
CID 66848488
4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498673
cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 42564426
2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-pyridinyl]acetamide;dihydrochloride
CID 175481213
2-amino-N-(5-morpholin-4-yl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797645
N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80501510
N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99593327

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride (CID 167527674) is (2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride is CC1CCC([C@H](N)C(=O)Nc2ccc(Br)cn2)CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride?
The InChIKey is JAAPRQQCWJCONX-QGULLTGBSA-N. The full InChI is InChI=1S/C14H20BrN3O.ClH/c1-9-2-4-10(5-3-9)13(16)14(19)18-12-7-6-11(15)8-17-12;/h6-10,13H,2-5,16H2,1H3,(H,17,18,19);1H/t9?,10?,13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride?
(2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride has a molecular weight of 362.70 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 167527674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).