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

C24H25Cl2F2N5O3 — CID 131969610

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

N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 131969610) has the molecular formula C24H25Cl2F2N5O3 and a molecular weight of 540.40 g/mol. Its IUPAC name is N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 131969610
• Molecular Formula: C24H25Cl2F2N5O3
• Molecular Weight: 540.40 g/mol
• Exact Mass: 539.13
• IUPAC Name: N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: CCC(F)(F)C1=CC=C(NC(=O)N2CC=C(c3ncc(-c4noc(CO)n4)cc3Cl)CC2)CC1(C)Cl
• InChI: InChI=1S/C24H25Cl2F2N5O3/c1-3-24(27,28)18-5-4-16(11-23(18,2)26)30-22(35)33-8-6-14(7-9-33)20-17(25)10-15(12-29-20)21-31-19(13-34)36-32-21/h4-6,10,12,34H,3,7-9,11,13H2,1-2H3,(H,30,35)
• InChIKey: HMZMRRNTGRSTAF-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.40
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 131969610) is N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

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

The canonical SMILES for N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is CCC(F)(F)C1=CC=C(NC(=O)N2CC=C(c3ncc(-c4noc(CO)n4)cc3Cl)CC2)CC1(C)Cl.

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

The InChIKey is HMZMRRNTGRSTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2F2N5O3/c1-3-24(27,28)18-5-4-16(11-23(18,2)26)30-22(35)33-8-6-14(7-9-33)20-17(25)10-15(12-29-20)21-31-19(13-34)36-32-21/h4-6,10,12,34H,3,7-9,11,13H2,1-2H3,(H,30,35).

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

N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 540.40 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 131969610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).