2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide

C18H21N3O3 — CID 2453410

IUPAC2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H21N3O3/c1-4-24-17-15(6-5-11-19-17)18(23)21(3)12-16(22)20-14-9-7-13(2)8-10-14/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyKJYCKQDWAFRSOE-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.50
Rot. Bonds6

About 2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide

2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 2453410) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID2453410
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H21N3O3/c1-4-24-17-15(6-5-11-19-17)18(23)21(3)12-16(22)20-14-9-7-13(2)8-10-14/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyKJYCKQDWAFRSOE-UHFFFAOYSA-N
XLogP2.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide (CID 2453410) is 2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)N(C)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is KJYCKQDWAFRSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-24-17-15(6-5-11-19-17)18(23)21(3)12-16(22)20-14-9-7-13(2)8-10-14/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide?
2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2453410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).