N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide

C22H19ClFN5O2 — CID 139329897

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2cc(F)c3ncc(Cl)cc3c2)o1
InChIInChI=1S/C22H19ClFN5O2/c1-11-3-19(25)29-12(2)16(11)9-28-22(30)18-10-26-20(31-18)6-13-4-14-7-15(23)8-27-21(14)17(24)5-13/h3-5,7-8,10H,6,9H2,1-2H3,(H2,25,29)(H,28,30)
InChIKeyFWDLGMHWYIBSMX-UHFFFAOYSA-N
MW439.88 g/mol
LogP4.13
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 139329897) has the molecular formula C22H19ClFN5O2 and a molecular weight of 439.88 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID139329897
Molecular FormulaC22H19ClFN5O2
Molecular Weight439.88 g/mol
Exact Mass439.12
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2cc(F)c3ncc(Cl)cc3c2)o1
InChIInChI=1S/C22H19ClFN5O2/c1-11-3-19(25)29-12(2)16(11)9-28-22(30)18-10-26-20(31-18)6-13-4-14-7-15(23)8-27-21(14)17(24)5-13/h3-5,7-8,10H,6,9H2,1-2H3,(H2,25,29)(H,28,30)
InChIKeyFWDLGMHWYIBSMX-UHFFFAOYSA-N
XLogP4.13
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide (CID 139329897) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2cc(F)c3ncc(Cl)cc3c2)o1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is FWDLGMHWYIBSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O2/c1-11-3-19(25)29-12(2)16(11)9-28-22(30)18-10-26-20(31-18)6-13-4-14-7-15(23)8-27-21(14)17(24)5-13/h3-5,7-8,10H,6,9H2,1-2H3,(H2,25,29)(H,28,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 439.88 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 139329897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).