6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide

C23H23F2N5O3 — CID 139349712

IUPAC6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
SMILESCn1cnnc1CC1(c2cccc(NC(=O)c3cc(OC(F)F)cc(C4CC4)n3)c2)COC1
InChIInChI=1S/C23H23F2N5O3/c1-30-13-26-29-20(30)10-23(11-32-12-23)15-3-2-4-16(7-15)27-21(31)19-9-17(33-22(24)25)8-18(28-19)14-5-6-14/h2-4,7-9,13-14,22H,5-6,10-12H2,1H3,(H,27,31)
InChIKeyGSFULZICDWCTKA-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.45
Rot. Bonds8

About 6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide

6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 139349712) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is 6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
PubChem CID139349712
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC Name6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
SMILESCn1cnnc1CC1(c2cccc(NC(=O)c3cc(OC(F)F)cc(C4CC4)n3)c2)COC1
InChIInChI=1S/C23H23F2N5O3/c1-30-13-26-29-20(30)10-23(11-32-12-23)15-3-2-4-16(7-15)27-21(31)19-9-17(33-22(24)25)8-18(28-19)14-5-6-14/h2-4,7-9,13-14,22H,5-6,10-12H2,1H3,(H,27,31)
InChIKeyGSFULZICDWCTKA-UHFFFAOYSA-N
XLogP3.45
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide (CID 139349712) is 6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide is Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(OC(F)F)cc(C4CC4)n3)c2)COC1.
What is the InChIKey of 6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is GSFULZICDWCTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c1-30-13-26-29-20(30)10-23(11-32-12-23)15-3-2-4-16(7-15)27-21(31)19-9-17(33-22(24)25)8-18(28-19)14-5-6-14/h2-4,7-9,13-14,22H,5-6,10-12H2,1H3,(H,27,31).
What are the key properties of 6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide?
6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139349712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).