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

C21H26N6O2S — CID 167033609

IUPAC2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
SMILES[H]/N=C/C=C(\N)c1ccc([C@@H]2CC[C@@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)s1
InChIInChI=1S/C21H26N6O2S/c1-12-3-4-16(18-6-5-17(30-18)15(23)7-8-22)27(11-12)21(29)20(28)26-14-9-13(2)19(24)25-10-14/h5-10,12,16,22H,3-4,11,23H2,1-2H3,(H2,24,25)(H,26,28)/b15-7-,22-8+/t12-,16+/m1/s1
InChIKeyLYHHBRQAXPHQMS-ZMGZOKHDSA-N
MW426.55 g/mol
LogP2.92
Rot. Bonds4

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

2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide (PubChem CID 167033609) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
PubChem CID167033609
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
SMILES[H]/N=C/C=C(\N)c1ccc([C@@H]2CC[C@@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)s1
InChIInChI=1S/C21H26N6O2S/c1-12-3-4-16(18-6-5-17(30-18)15(23)7-8-22)27(11-12)21(29)20(28)26-14-9-13(2)19(24)25-10-14/h5-10,12,16,22H,3-4,11,23H2,1-2H3,(H2,24,25)(H,26,28)/b15-7-,22-8+/t12-,16+/m1/s1
InChIKeyLYHHBRQAXPHQMS-ZMGZOKHDSA-N
XLogP2.92
TPSA138.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-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-[(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
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-[(2S,6R)-6-methyl-2-thiophen-2-ylazepan-1-yl]-2-oxoacetamide
CID 175636967
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[1-[(E)-1-amino-3-iminoprop-1-enyl]pyrazol-3-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 177091955
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-5-methyl-2-pyridin-3-ylpiperidin-1-yl]-2-oxoacetamide
CID 167034069
2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
CID 164751446
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753690
[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-[(2S,5R)-5-methyl-2-(4-methylsulfonylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 164750639
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
CID 175471315
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164752673

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide (CID 167033609) is 2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide is [H]/N=C/C=C(\N)c1ccc([C@@H]2CC[C@@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)s1.
What is the InChIKey of 2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide?
The InChIKey is LYHHBRQAXPHQMS-ZMGZOKHDSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-12-3-4-16(18-6-5-17(30-18)15(23)7-8-22)27(11-12)21(29)20(28)26-14-9-13(2)19(24)25-10-14/h5-10,12,16,22H,3-4,11,23H2,1-2H3,(H2,24,25)(H,26,28)/b15-7-,22-8+/t12-,16+/m1/s1.
What are the key properties of 2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide?
2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide has a molecular weight of 426.55 g/mol, XLogP of 2.92, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 167033609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).