6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide

C27H18ClF10N3O3 — CID 166590156

About 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide

6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide (PubChem CID 166590156) has the molecular formula C27H18ClF10N3O3 and a molecular weight of 657.89 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide
• PubChem CID: 166590156
• Molecular Formula: C27H18ClF10N3O3
• Molecular Weight: 657.89 g/mol
• Exact Mass: 657.09
• IUPAC Name: 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)F)c1cccc(N(CC2CC2)C(=O)c2ccc(Cl)nc2)c1F
• InChI: InChI=1S/C27H18ClF10N3O3/c28-20-9-6-14(11-39-20)23(43)41(12-13-4-5-13)18-3-1-2-16(21(18)29)22(42)40-17-8-7-15(10-19(17)44-24(30)31)25(32,26(33,34)35)27(36,37)38/h1-3,6-11,13,24H,4-5,12H2,(H,40,42)
• InChIKey: AWPRIDOBCLJIAP-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.89
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide (CID 166590156) is 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)F)c1cccc(N(CC2CC2)C(=O)c2ccc(Cl)nc2)c1F.

What is the InChIKey of 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide?

The InChIKey is AWPRIDOBCLJIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF10N3O3/c28-20-9-6-14(11-39-20)23(43)41(12-13-4-5-13)18-3-1-2-16(21(18)29)22(42)40-17-8-7-15(10-19(17)44-24(30)31)25(32,26(33,34)35)27(36,37)38/h1-3,6-11,13,24H,4-5,12H2,(H,40,42).

What are the key properties of 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide?

6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide has a molecular weight of 657.89 g/mol, XLogP of 8.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(cyclopropylmethyl)-N-[3-[[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluorophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 166590156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).