4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C24H25ClF2N6O4 — CID 123629363

About 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 123629363) has the molecular formula C24H25ClF2N6O4 and a molecular weight of 534.95 g/mol. Its IUPAC name is 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 123629363
• Molecular Formula: C24H25ClF2N6O4
• Molecular Weight: 534.95 g/mol
• Exact Mass: 534.16
• IUPAC Name: 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: CCC(F)(F)c1ccc(NC(=O)N2CC=C(c3ncc(-c4nnc(C(CO)CO)o4)cc3Cl)CC2)nc1
• InChI: InChI=1S/C24H25ClF2N6O4/c1-2-24(26,27)17-3-4-19(28-11-17)30-23(36)33-7-5-14(6-8-33)20-18(25)9-15(10-29-20)21-31-32-22(37-21)16(12-34)13-35/h3-5,9-11,16,34-35H,2,6-8,12-13H2,1H3,(H,28,30,36)
• InChIKey: IDHCRCAHPSRIOC-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 137.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.95
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 123629363) is 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is CCC(F)(F)c1ccc(NC(=O)N2CC=C(c3ncc(-c4nnc(C(CO)CO)o4)cc3Cl)CC2)nc1.

What is the InChIKey of 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is IDHCRCAHPSRIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N6O4/c1-2-24(26,27)17-3-4-19(28-11-17)30-23(36)33-7-5-14(6-8-33)20-18(25)9-15(10-29-20)21-31-32-22(37-21)16(12-34)13-35/h3-5,9-11,16,34-35H,2,6-8,12-13H2,1H3,(H,28,30,36).

What are the key properties of 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 534.95 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 123629363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).