N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide

C21H21N3O3 — CID 168942128

IUPACN-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc3c(-c4ccccc4C)cc(=O)oc3n2)C1
InChIInChI=1S/C21H21N3O3/c1-13-5-3-4-6-16(13)18-11-20(26)27-21-17(18)7-8-19(23-21)24-10-9-15(12-24)22-14(2)25/h3-8,11,15H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyZCEMFBQULVCXND-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.88
Rot. Bonds3

About N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide

N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide (PubChem CID 168942128) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide
PubChem CID168942128
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc3c(-c4ccccc4C)cc(=O)oc3n2)C1
InChIInChI=1S/C21H21N3O3/c1-13-5-3-4-6-16(13)18-11-20(26)27-21-17(18)7-8-19(23-21)24-10-9-15(12-24)22-14(2)25/h3-8,11,15H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyZCEMFBQULVCXND-UHFFFAOYSA-N
XLogP2.88
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide (CID 168942128) is N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ccc3c(-c4ccccc4C)cc(=O)oc3n2)C1.
What is the InChIKey of N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is ZCEMFBQULVCXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-5-3-4-6-16(13)18-11-20(26)27-21-17(18)7-8-19(23-21)24-10-9-15(12-24)22-14(2)25/h3-8,11,15H,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide?
N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 168942128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).