N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C21H24N6O2 — CID 167034084

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@@H](C)CCC2c2ccc3nc[nH]c3c2)cnc1N
InChIInChI=1S/C21H24N6O2/c1-12-3-6-18(14-4-5-16-17(8-14)25-11-24-16)27(10-12)21(29)20(28)26-15-7-13(2)19(22)23-9-15/h4-5,7-9,11-12,18H,3,6,10H2,1-2H3,(H2,22,23)(H,24,25)(H,26,28)/t12-,18?/m0/s1
InChIKeyXXDWYSCPHBUKSU-RSXQAXDFSA-N
MW392.46 g/mol
LogP2.79
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 167034084) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID167034084
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@@H](C)CCC2c2ccc3nc[nH]c3c2)cnc1N
InChIInChI=1S/C21H24N6O2/c1-12-3-6-18(14-4-5-16-17(8-14)25-11-24-16)27(10-12)21(29)20(28)26-15-7-13(2)19(22)23-9-15/h4-5,7-9,11-12,18H,3,6,10H2,1-2H3,(H2,22,23)(H,24,25)(H,26,28)/t12-,18?/m0/s1
InChIKeyXXDWYSCPHBUKSU-RSXQAXDFSA-N
XLogP2.79
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1H-indazol-6-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164750210
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164753144
5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164751460
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-(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-[5-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753690
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-(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
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-5-methyl-2-pyridin-3-ylpiperidin-1-yl]-2-oxoacetamide
CID 167034069
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751196

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 167034084) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CCC2c2ccc3nc[nH]c3c2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is XXDWYSCPHBUKSU-RSXQAXDFSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-12-3-6-18(14-4-5-16-17(8-14)25-11-24-16)27(10-12)21(29)20(28)26-15-7-13(2)19(22)23-9-15/h4-5,7-9,11-12,18H,3,6,10H2,1-2H3,(H2,22,23)(H,24,25)(H,26,28)/t12-,18?/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 392.46 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 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-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167034084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).