N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide

C21H21F2N3O3 — CID 170599696

IUPACN-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide
SMILESCc1oc2cnc(OCCc3ccccc3)cc2c1C(=O)NC1CNCC1(F)F
InChIInChI=1S/C21H21F2N3O3/c1-13-19(20(27)26-17-11-24-12-21(17,22)23)15-9-18(25-10-16(15)29-13)28-8-7-14-5-3-2-4-6-14/h2-6,9-10,17,24H,7-8,11-12H2,1H3,(H,26,27)
InChIKeyWHYGEYJMOGFVQI-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.09
Rot. Bonds6

About N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide

N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide (PubChem CID 170599696) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide
PubChem CID170599696
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC NameN-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide
SMILESCc1oc2cnc(OCCc3ccccc3)cc2c1C(=O)NC1CNCC1(F)F
InChIInChI=1S/C21H21F2N3O3/c1-13-19(20(27)26-17-11-24-12-21(17,22)23)15-9-18(25-10-16(15)29-13)28-8-7-14-5-3-2-4-6-14/h2-6,9-10,17,24H,7-8,11-12H2,1H3,(H,26,27)
InChIKeyWHYGEYJMOGFVQI-UHFFFAOYSA-N
XLogP3.09
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide (CID 170599696) is N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide is Cc1oc2cnc(OCCc3ccccc3)cc2c1C(=O)NC1CNCC1(F)F.
What is the InChIKey of N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is WHYGEYJMOGFVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-13-19(20(27)26-17-11-24-12-21(17,22)23)15-9-18(25-10-16(15)29-13)28-8-7-14-5-3-2-4-6-14/h2-6,9-10,17,24H,7-8,11-12H2,1H3,(H,26,27).
What are the key properties of N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide?
N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170599696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).