4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide

C17H15Cl2F2N3O3 — CID 22145782

IUPAC4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1cc(OC2CCCC2)c(OC(F)F)cn1
InChIInChI=1S/C17H15Cl2F2N3O3/c18-10-6-22-7-11(19)15(10)24-16(25)12-5-13(26-9-3-1-2-4-9)14(8-23-12)27-17(20)21/h5-9,17H,1-4H2,(H,22,24,25)
InChIKeySMRITOJWAVKKAB-UHFFFAOYSA-N
MW418.23 g/mol
LogP4.96
Rot. Bonds6

About 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide

4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide (PubChem CID 22145782) has the molecular formula C17H15Cl2F2N3O3 and a molecular weight of 418.23 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide
PubChem CID22145782
Molecular FormulaC17H15Cl2F2N3O3
Molecular Weight418.23 g/mol
Exact Mass417.05
IUPAC Name4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1cc(OC2CCCC2)c(OC(F)F)cn1
InChIInChI=1S/C17H15Cl2F2N3O3/c18-10-6-22-7-11(19)15(10)24-16(25)12-5-13(26-9-3-1-2-4-9)14(8-23-12)27-17(20)21/h5-9,17H,1-4H2,(H,22,24,25)
InChIKeySMRITOJWAVKKAB-UHFFFAOYSA-N
XLogP4.96
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.23
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide (CID 22145782) is 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide is O=C(Nc1c(Cl)cncc1Cl)c1cc(OC2CCCC2)c(OC(F)F)cn1.
What is the InChIKey of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide?
The InChIKey is SMRITOJWAVKKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F2N3O3/c18-10-6-22-7-11(19)15(10)24-16(25)12-5-13(26-9-3-1-2-4-9)14(8-23-12)27-17(20)21/h5-9,17H,1-4H2,(H,22,24,25).
What are the key properties of 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide?
4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide has a molecular weight of 418.23 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-5-(difluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 22145782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).