2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride

C19H19ClN2O2 — CID 67105707

IUPAC2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride
SMILESCl.O=c1cc(-c2ccccc2)oc2ncc(CN3CCCC3)cc12
InChIInChI=1S/C19H18N2O2.ClH/c22-17-11-18(15-6-2-1-3-7-15)23-19-16(17)10-14(12-20-19)13-21-8-4-5-9-21;/h1-3,6-7,10-12H,4-5,8-9,13H2;1H
InChIKeyVWAUNUDNVXNUEN-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.87
Rot. Bonds3

About 2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride

2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride (PubChem CID 67105707) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride
PubChem CID67105707
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride
SMILESCl.O=c1cc(-c2ccccc2)oc2ncc(CN3CCCC3)cc12
InChIInChI=1S/C19H18N2O2.ClH/c22-17-11-18(15-6-2-1-3-7-15)23-19-16(17)10-14(12-20-19)13-21-8-4-5-9-21;/h1-3,6-7,10-12H,4-5,8-9,13H2;1H
InChIKeyVWAUNUDNVXNUEN-UHFFFAOYSA-N
XLogP3.87
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride?
The IUPAC name of 2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride (CID 67105707) is 2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride.
What is the SMILES notation for 2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride?
The canonical SMILES for 2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride is Cl.O=c1cc(-c2ccccc2)oc2ncc(CN3CCCC3)cc12.
What is the InChIKey of 2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride?
The InChIKey is VWAUNUDNVXNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.ClH/c22-17-11-18(15-6-2-1-3-7-15)23-19-16(17)10-14(12-20-19)13-21-8-4-5-9-21;/h1-3,6-7,10-12H,4-5,8-9,13H2;1H.
What are the key properties of 2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride?
2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(pyrrolidin-1-ylmethyl)pyrano[2,3-b]pyridin-4-one;hydrochloride is sourced from PubChem (CID 67105707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).