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

C19H19N3O3 — CID 168942096

IUPACN-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2n1
InChIInChI=1S/C19H19N3O3/c1-12-6-4-5-7-13(12)15-10-18(24)25-19-14(15)8-9-16(21-19)22(3)11-17(23)20-2/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyCPSBDQZXLOMNIM-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.35
Rot. Bonds4

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

N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide (PubChem CID 168942096) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide
PubChem CID168942096
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2n1
InChIInChI=1S/C19H19N3O3/c1-12-6-4-5-7-13(12)15-10-18(24)25-19-14(15)8-9-16(21-19)22(3)11-17(23)20-2/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyCPSBDQZXLOMNIM-UHFFFAOYSA-N
XLogP2.35
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide (CID 168942096) is N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide is CNC(=O)CN(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2n1.
What is the InChIKey of N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide?
The InChIKey is CPSBDQZXLOMNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-6-4-5-7-13(12)15-10-18(24)25-19-14(15)8-9-16(21-19)22(3)11-17(23)20-2/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide?
N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetamide is sourced from PubChem (CID 168942096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).