5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

C22H28FN3O2 — CID 53194092

IUPAC5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCCN1CCCC1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C22H28FN3O2/c1-16-21(22(27)24-9-13-25-10-2-3-11-25)19-15-26(12-8-20(19)28-16)14-17-4-6-18(23)7-5-17/h4-7H,2-3,8-15H2,1H3,(H,24,27)
InChIKeyGNSRQAPFJPUHGJ-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.11
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 53194092) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID53194092
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCCN1CCCC1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C22H28FN3O2/c1-16-21(22(27)24-9-13-25-10-2-3-11-25)19-15-26(12-8-20(19)28-16)14-17-4-6-18(23)7-5-17/h4-7H,2-3,8-15H2,1H3,(H,24,27)
InChIKeyGNSRQAPFJPUHGJ-UHFFFAOYSA-N
XLogP3.11
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (CID 53194092) is 5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is Cc1oc2c(c1C(=O)NCCN1CCCC1)CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is GNSRQAPFJPUHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-16-21(22(27)24-9-13-25-10-2-3-11-25)19-15-26(12-8-20(19)28-16)14-17-4-6-18(23)7-5-17/h4-7H,2-3,8-15H2,1H3,(H,24,27).
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 385.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 53194092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).