(2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide

C21H27N3O — CID 163275805

IUPAC(2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cncc(C)c1-c1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1
InChIInChI=1S/C21H27N3O/c1-14-12-23-13-15(2)19(14)16-8-10-18(11-9-16)24-21(25)20(22)17-6-4-3-5-7-17/h8-13,17,20H,3-7,22H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyCNRFSWSPHLNZCI-FQEVSTJZSA-N
MW337.47 g/mol
LogP4.21
Rot. Bonds4

About (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide

(2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide (PubChem CID 163275805) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide
PubChem CID163275805
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cncc(C)c1-c1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1
InChIInChI=1S/C21H27N3O/c1-14-12-23-13-15(2)19(14)16-8-10-18(11-9-16)24-21(25)20(22)17-6-4-3-5-7-17/h8-13,17,20H,3-7,22H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyCNRFSWSPHLNZCI-FQEVSTJZSA-N
XLogP4.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-cyclopentyl-N-[4-(2,4-dimethyl-3-pyridinyl)phenyl]acetamide
CID 175462730
2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride
CID 154944128
(2S)-2-amino-N-[4-[1-benzyl-5-(1-hydroxyethyl)-3-methylpyrazol-4-yl]phenyl]-2-cyclohexylacetamide;hydrochloride
CID 154944167
(2S)-2-amino-N-[4-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)phenyl]-2-(4-methylcyclohexyl)acetamide
CID 175717836
(2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide
CID 175462705
(2S)-2-amino-N-[4-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)phenyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 175717815
2-amino-2-cyclohexyl-N-methylacetamide
CID 66931955
2-amino-2-cyclohexyl-N-methylacetamide;hydrochloride
CID 66985507
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
(2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride
CID 154914957
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800459
2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide
CID 77215283

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide (CID 163275805) is (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide is Cc1cncc(C)c1-c1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is CNRFSWSPHLNZCI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14-12-23-13-15(2)19(14)16-8-10-18(11-9-16)24-21(25)20(22)17-6-4-3-5-7-17/h8-13,17,20H,3-7,22H2,1-2H3,(H,24,25)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide?
(2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 163275805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).