N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

C21H18ClFN4O2 — CID 139295369

IUPACN-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C21H18ClFN4O2/c22-14-1-4-19(25-12-14)26-20(28)21(29)27-9-6-13(7-10-27)16-5-8-24-18-3-2-15(23)11-17(16)18/h1-5,8,11-13H,6-7,9-10H2,(H,25,26,28)
InChIKeyJYCCTOFAASPOCV-UHFFFAOYSA-N
MW412.85 g/mol
LogP3.77
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide

N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 139295369) has the molecular formula C21H18ClFN4O2 and a molecular weight of 412.85 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID139295369
Molecular FormulaC21H18ClFN4O2
Molecular Weight412.85 g/mol
Exact Mass412.11
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C21H18ClFN4O2/c22-14-1-4-19(25-12-14)26-20(28)21(29)27-9-6-13(7-10-27)16-5-8-24-18-3-2-15(23)11-17(16)18/h1-5,8,11-13H,6-7,9-10H2,(H,25,26,28)
InChIKeyJYCCTOFAASPOCV-UHFFFAOYSA-N
XLogP3.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 11518389
CID 11518389
CID 24857903
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CID 157827766
CID 157827766
CID 5330143
CID 5330143
CID 5330144
CID 5330144
CID 5330146
CID 5330146
CID 11604864
CID 11604864
CID 44576717
CID 44576717
CID 886118
CID 886118
CID 25113050
CID 25113050
CID 46855897
CID 46855897
CID 46900069
CID 46900069

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 139295369) is N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is JYCCTOFAASPOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O2/c22-14-1-4-19(25-12-14)26-20(28)21(29)27-9-6-13(7-10-27)16-5-8-24-18-3-2-15(23)11-17(16)18/h1-5,8,11-13H,6-7,9-10H2,(H,25,26,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 412.85 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 139295369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).