N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide

C20H21N3O3 — CID 168942052

IUPACN-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide
SMILESCNC(=O)CCN(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2n1
InChIInChI=1S/C20H21N3O3/c1-13-6-4-5-7-14(13)16-12-19(25)26-20-15(16)8-9-17(22-20)23(3)11-10-18(24)21-2/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyUZGICUMFPDFWAV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.74
Rot. Bonds5

About N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide

N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide (PubChem CID 168942052) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide
PubChem CID168942052
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide
SMILESCNC(=O)CCN(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2n1
InChIInChI=1S/C20H21N3O3/c1-13-6-4-5-7-14(13)16-12-19(25)26-20-15(16)8-9-17(22-20)23(3)11-10-18(24)21-2/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyUZGICUMFPDFWAV-UHFFFAOYSA-N
XLogP2.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide?
The IUPAC name of N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide (CID 168942052) is N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide?
The canonical SMILES for N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide is CNC(=O)CCN(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2n1.
What is the InChIKey of N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide?
The InChIKey is UZGICUMFPDFWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-6-4-5-7-14(13)16-12-19(25)26-20-15(16)8-9-17(22-20)23(3)11-10-18(24)21-2/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide?
N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]propanamide is sourced from PubChem (CID 168942052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).