3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

C19H23N3O4 — CID 18106922

IUPAC3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cc(C)ccn2)cc1OCC
InChIInChI=1S/C19H23N3O4/c1-4-25-15-7-6-14(11-16(15)26-5-2)19(24)21-12-18(23)22-17-10-13(3)8-9-20-17/h6-11H,4-5,12H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyRZXOMACEHRQKGD-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.56
Rot. Bonds8

About 3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 18106922) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID18106922
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cc(C)ccn2)cc1OCC
InChIInChI=1S/C19H23N3O4/c1-4-25-15-7-6-14(11-16(15)26-5-2)19(24)21-12-18(23)22-17-10-13(3)8-9-20-17/h6-11H,4-5,12H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyRZXOMACEHRQKGD-UHFFFAOYSA-N
XLogP2.56
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 18106922) is 3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2cc(C)ccn2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is RZXOMACEHRQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-25-15-7-6-14(11-16(15)26-5-2)19(24)21-12-18(23)22-17-10-13(3)8-9-20-17/h6-11H,4-5,12H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of 3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18106922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).