5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

C24H25FN4O2 — CID 78010170

IUPAC5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCc1nc(C(CC2CC2)NC(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)no1
InChIInChI=1S/C24H25FN4O2/c1-14-26-23(29-31-14)22(13-15-2-3-15)28-24(30)20-11-10-19(17-6-7-17)21(27-20)12-16-4-8-18(25)9-5-16/h4-5,8-11,15,17,22H,2-3,6-7,12-13H2,1H3,(H,28,30)
InChIKeyPGKCLHMFUMHWFJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.65
Rot. Bonds8

About 5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 78010170) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID78010170
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCc1nc(C(CC2CC2)NC(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)no1
InChIInChI=1S/C24H25FN4O2/c1-14-26-23(29-31-14)22(13-15-2-3-15)28-24(30)20-11-10-19(17-6-7-17)21(27-20)12-16-4-8-18(25)9-5-16/h4-5,8-11,15,17,22H,2-3,6-7,12-13H2,1H3,(H,28,30)
InChIKeyPGKCLHMFUMHWFJ-UHFFFAOYSA-N
XLogP4.65
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 78010170) is 5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is Cc1nc(C(CC2CC2)NC(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)no1.
What is the InChIKey of 5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is PGKCLHMFUMHWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-14-26-23(29-31-14)22(13-15-2-3-15)28-24(30)20-11-10-19(17-6-7-17)21(27-20)12-16-4-8-18(25)9-5-16/h4-5,8-11,15,17,22H,2-3,6-7,12-13H2,1H3,(H,28,30).
What are the key properties of 5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 78010170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).