2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide

C23H29N5O3 — CID 166022591

IUPAC2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NC(C)=O)cc2)cnc1N
InChIInChI=1S/C23H29N5O3/c1-4-16-11-19(12-25-21(16)24)27-22(30)23(31)28-13-14(2)5-10-20(28)17-6-8-18(9-7-17)26-15(3)29/h6-9,11-12,14,20H,4-5,10,13H2,1-3H3,(H2,24,25)(H,26,29)(H,27,30)/t14-,20+/m1/s1
InChIKeyLSDCTZNIRZCNLV-VLIAUNLRSA-N
MW423.52 g/mol
LogP3.12
Rot. Bonds4

About 2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide

2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide (PubChem CID 166022591) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide
PubChem CID166022591
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NC(C)=O)cc2)cnc1N
InChIInChI=1S/C23H29N5O3/c1-4-16-11-19(12-25-21(16)24)27-22(30)23(31)28-13-14(2)5-10-20(28)17-6-8-18(9-7-17)26-15(3)29/h6-9,11-12,14,20H,4-5,10,13H2,1-3H3,(H2,24,25)(H,26,29)(H,27,30)/t14-,20+/m1/s1
InChIKeyLSDCTZNIRZCNLV-VLIAUNLRSA-N
XLogP3.12
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide (CID 166022591) is 2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(NC(C)=O)cc2)cnc1N.
What is the InChIKey of 2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide?
The InChIKey is LSDCTZNIRZCNLV-VLIAUNLRSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-4-16-11-19(12-25-21(16)24)27-22(30)23(31)28-13-14(2)5-10-20(28)17-6-8-18(9-7-17)26-15(3)29/h6-9,11-12,14,20H,4-5,10,13H2,1-3H3,(H2,24,25)(H,26,29)(H,27,30)/t14-,20+/m1/s1.
What are the key properties of 2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide?
2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide has a molecular weight of 423.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 166022591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).