N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide

C19H20ClFN4O2 — CID 167033401

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(F)c(Cl)c2)cnc1N
InChIInChI=1S/C19H20ClFN4O2/c1-11-8-13(10-23-17(11)22)24-18(26)19(27)25-7-3-2-4-16(25)12-5-6-15(21)14(20)9-12/h5-6,8-10,16H,2-4,7H2,1H3,(H2,22,23)(H,24,26)/t16-/m0/s1
InChIKeyOIZXUWINXQXPKX-INIZCTEOSA-N
MW390.85 g/mol
LogP3.46
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 167033401) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID167033401
Molecular FormulaC19H20ClFN4O2
Molecular Weight390.85 g/mol
Exact Mass390.13
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(F)c(Cl)c2)cnc1N
InChIInChI=1S/C19H20ClFN4O2/c1-11-8-13(10-23-17(11)22)24-18(26)19(27)25-7-3-2-4-16(25)12-5-6-15(21)14(20)9-12/h5-6,8-10,16H,2-4,7H2,1H3,(H2,22,23)(H,24,26)/t16-/m0/s1
InChIKeyOIZXUWINXQXPKX-INIZCTEOSA-N
XLogP3.46
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide (CID 167033401) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(F)c(Cl)c2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is OIZXUWINXQXPKX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c1-11-8-13(10-23-17(11)22)24-18(26)19(27)25-7-3-2-4-16(25)12-5-6-15(21)14(20)9-12/h5-6,8-10,16H,2-4,7H2,1H3,(H2,22,23)(H,24,26)/t16-/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 390.85 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167033401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).