2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

C17H21N3O2 — CID 110876646

IUPAC2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCCc1ccncc1)CN(C)CC2
InChIInChI=1S/C17H21N3O2/c1-12-16(14-11-20(2)10-6-15(14)22-12)17(21)19-9-5-13-3-7-18-8-4-13/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,19,21)
InChIKeyRBPWCYJDGJDAHQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.94
Rot. Bonds4

About 2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 110876646) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID110876646
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCCc1ccncc1)CN(C)CC2
InChIInChI=1S/C17H21N3O2/c1-12-16(14-11-20(2)10-6-15(14)22-12)17(21)19-9-5-13-3-7-18-8-4-13/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,19,21)
InChIKeyRBPWCYJDGJDAHQ-UHFFFAOYSA-N
XLogP1.94
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (CID 110876646) is 2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is Cc1oc2c(c1C(=O)NCCc1ccncc1)CN(C)CC2.
What is the InChIKey of 2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is RBPWCYJDGJDAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-16(14-11-20(2)10-6-15(14)22-12)17(21)19-9-5-13-3-7-18-8-4-13/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,19,21).
What are the key properties of 2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 110876646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).