2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide

C18H19N3O3 — CID 138011487

IUPAC2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide
SMILESO=C(NC1CC2(CCNC2)Oc2ccccc21)c1cc[nH]c(=O)c1
InChIInChI=1S/C18H19N3O3/c22-16-9-12(5-7-20-16)17(23)21-14-10-18(6-8-19-11-18)24-15-4-2-1-3-13(14)15/h1-5,7,9,14,19H,6,8,10-11H2,(H,20,22)(H,21,23)
InChIKeyDPNAEOSDSGWBSK-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.36
Rot. Bonds2

About 2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide

2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide (PubChem CID 138011487) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide
PubChem CID138011487
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide
SMILESO=C(NC1CC2(CCNC2)Oc2ccccc21)c1cc[nH]c(=O)c1
InChIInChI=1S/C18H19N3O3/c22-16-9-12(5-7-20-16)17(23)21-14-10-18(6-8-19-11-18)24-15-4-2-1-3-13(14)15/h1-5,7,9,14,19H,6,8,10-11H2,(H,20,22)(H,21,23)
InChIKeyDPNAEOSDSGWBSK-UHFFFAOYSA-N
XLogP1.36
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide (CID 138011487) is 2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide is O=C(NC1CC2(CCNC2)Oc2ccccc21)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide?
The InChIKey is DPNAEOSDSGWBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16-9-12(5-7-20-16)17(23)21-14-10-18(6-8-19-11-18)24-15-4-2-1-3-13(14)15/h1-5,7,9,14,19H,6,8,10-11H2,(H,20,22)(H,21,23).
What are the key properties of 2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide?
2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-yl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 138011487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).