N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide

C23H26F2N4O2 — CID 10224465

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)NCCc2cc(F)cc(F)c2)cc(-c2ncco2)n1
InChIInChI=1S/C23H26F2N4O2/c1-3-8-29(9-4-2)21-14-17(13-20(28-21)23-27-7-10-31-23)22(30)26-6-5-16-11-18(24)15-19(25)12-16/h7,10-15H,3-6,8-9H2,1-2H3,(H,26,30)
InChIKeyNXLSVMCXKHRLRL-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.61
Rot. Bonds10

About N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide

N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (PubChem CID 10224465) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
PubChem CID10224465
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)NCCc2cc(F)cc(F)c2)cc(-c2ncco2)n1
InChIInChI=1S/C23H26F2N4O2/c1-3-8-29(9-4-2)21-14-17(13-20(28-21)23-27-7-10-31-23)22(30)26-6-5-16-11-18(24)15-19(25)12-16/h7,10-15H,3-6,8-9H2,1-2H3,(H,26,30)
InChIKeyNXLSVMCXKHRLRL-UHFFFAOYSA-N
XLogP4.61
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (CID 10224465) is N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)NCCc2cc(F)cc(F)c2)cc(-c2ncco2)n1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The InChIKey is NXLSVMCXKHRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c1-3-8-29(9-4-2)21-14-17(13-20(28-21)23-27-7-10-31-23)22(30)26-6-5-16-11-18(24)15-19(25)12-16/h7,10-15H,3-6,8-9H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 10224465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).