3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid

C20H19N3O4 — CID 170188617

IUPAC3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCC(N)(C(=O)O)C3)ccc12
InChIInChI=1S/C20H19N3O4/c1-12-4-2-3-5-13(12)15-10-17(24)27-18-14(15)6-7-16(22-18)23-9-8-20(21,11-23)19(25)26/h2-7,10H,8-9,11,21H2,1H3,(H,25,26)
InChIKeyOYXDKMVIKHPACV-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.16
Rot. Bonds3

About 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid

3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid (PubChem CID 170188617) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid
PubChem CID170188617
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCC(N)(C(=O)O)C3)ccc12
InChIInChI=1S/C20H19N3O4/c1-12-4-2-3-5-13(12)15-10-17(24)27-18-14(15)6-7-16(22-18)23-9-8-20(21,11-23)19(25)26/h2-7,10H,8-9,11,21H2,1H3,(H,25,26)
InChIKeyOYXDKMVIKHPACV-UHFFFAOYSA-N
XLogP2.16
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

US20250066377, Example 17
CID 168942069
US20250066377, Example 18
CID 168942156
(2S)-4,4-difluoro-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid
CID 168942157
methyl (2S)-4,4-difluoro-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylate
CID 168942246
4,4-Difluoro-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid
CID 169729659
(2R)-4,4-difluoro-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid
CID 176647828
US20250066377, Example 43
CID 168942052
US20250066377, Example 12
CID 168942087
US20250066377, Example 39
CID 168942096
US20250066377, Example 40
CID 168942125
US20250066377, Example 22
CID 168942128
US20250066377, Example 36
CID 168942129

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid (CID 170188617) is 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid is Cc1ccccc1-c1cc(=O)oc2nc(N3CCC(N)(C(=O)O)C3)ccc12.
What is the InChIKey of 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is OYXDKMVIKHPACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-4-2-3-5-13(12)15-10-17(24)27-18-14(15)6-7-16(22-18)23-9-8-20(21,11-23)19(25)26/h2-7,10H,8-9,11,21H2,1H3,(H,25,26).
What are the key properties of 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid?
3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 170188617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).