N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide

C19H24N4O2S — CID 175636967

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H](C)CCC[C@H]2c2cccs2)cnc1N
InChIInChI=1S/C19H24N4O2S/c1-12-5-3-6-15(16-7-4-8-26-16)23(11-12)19(25)18(24)22-14-9-13(2)17(20)21-10-14/h4,7-10,12,15H,3,5-6,11H2,1-2H3,(H2,20,21)(H,22,24)/t12-,15+/m1/s1
InChIKeyABTGXWQZXGFCPK-DOMZBBRYSA-N
MW372.49 g/mol
LogP3.36
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide (PubChem CID 175636967) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide
PubChem CID175636967
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H](C)CCC[C@H]2c2cccs2)cnc1N
InChIInChI=1S/C19H24N4O2S/c1-12-5-3-6-15(16-7-4-8-26-16)23(11-12)19(25)18(24)22-14-9-13(2)17(20)21-10-14/h4,7-10,12,15H,3,5-6,11H2,1-2H3,(H2,20,21)(H,22,24)/t12-,15+/m1/s1
InChIKeyABTGXWQZXGFCPK-DOMZBBRYSA-N
XLogP3.36
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide 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

N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 164750467
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
CID 164750241
5-[[2-[(2R,5R)-5-methyl-2-thiophen-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022590
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753690
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164753144
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164750802
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(4-methylsulfonylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 164750639
[4-[(2S,5R)-1-[2-[(6-amino-5-methyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164751936
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751196
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(5-methyl-2-thiophen-2-ylpiperidin-1-yl)-2-oxoacetamide
CID 169113607
bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 165062940

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide (CID 175636967) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@H](C)CCC[C@H]2c2cccs2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide?
The InChIKey is ABTGXWQZXGFCPK-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12-5-3-6-15(16-7-4-8-26-16)23(11-12)19(25)18(24)22-14-9-13(2)17(20)21-10-14/h4,7-10,12,15H,3,5-6,11H2,1-2H3,(H2,20,21)(H,22,24)/t12-,15+/m1/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide has a molecular weight of 372.49 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175636967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).