2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide

C20H24N4O2 — CID 164752180

IUPAC2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1cncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(N)cc2)c1
InChIInChI=1S/C20H24N4O2/c1-13-3-8-18(15-4-6-16(21)7-5-15)24(12-13)20(26)19(25)23-17-9-14(2)10-22-11-17/h4-7,9-11,13,18H,3,8,12,21H2,1-2H3,(H,23,25)/t13-,18+/m0/s1
InChIKeyIZIABRNMNCAQJI-SCLBCKFNSA-N
MW352.44 g/mol
LogP2.91
Rot. Bonds2

About 2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide

2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide (PubChem CID 164752180) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
PubChem CID164752180
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1cncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(N)cc2)c1
InChIInChI=1S/C20H24N4O2/c1-13-3-8-18(15-4-6-16(21)7-5-15)24(12-13)20(26)19(25)23-17-9-14(2)10-22-11-17/h4-7,9-11,13,18H,3,8,12,21H2,1-2H3,(H,23,25)/t13-,18+/m0/s1
InChIKeyIZIABRNMNCAQJI-SCLBCKFNSA-N
XLogP2.91
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382932
N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide
CID 164750645
5-[[2-[(5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034359
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 165081591
[4-[(2R,5S)-1-[2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164752749
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892
5-[[2-[(2S,5R)-2-(3-chloro-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753165
5-[[2-[(2S,5R)-2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750589
5-[[2-[(2R,5S)-2-(5-amino-2-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751414
5-[[2-[(2S,5R)-2-(3,4-dimethoxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753537
[4-[(2S,5R)-1-[2-[(6-amino-5-methyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164751936

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide (CID 164752180) is 2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide is Cc1cncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(N)cc2)c1.
What is the InChIKey of 2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The InChIKey is IZIABRNMNCAQJI-SCLBCKFNSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-3-8-18(15-4-6-16(21)7-5-15)24(12-13)20(26)19(25)23-17-9-14(2)10-22-11-17/h4-7,9-11,13,18H,3,8,12,21H2,1-2H3,(H,23,25)/t13-,18+/m0/s1.
What are the key properties of 2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide has a molecular weight of 352.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 164752180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).