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

N-[4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-(4-methyl-1-piperazinyl)-2-pentynamide
CID 11518389
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
Glecirasib
CID 157827766
1,6-Naphthyridine 33
CID 5330143
1,6-Naphthyridine 34
CID 5330144
1,6-Naphthyridine 36
CID 5330146
N-[4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-(1-piperidinyl)-2-pentynamide
CID 11604864
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
N-(5-chloropyridin-2-yl)quinoline-2-carboxamide
CID 886118
4-(3-Pyridin-4-yl-[2,6]naphthyridin-1-yl)piperazin-2-one
CID 25113050
N-(3-chloro-4-fluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
CID 46855897
4-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperazin-2-one
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).