N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide

C20H24N4O4 — CID 2469880

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24N4O4/c1-4-24(20(27)17-7-6-12-21-19(17)28-5-2)13-18(26)23-16-10-8-15(9-11-16)22-14(3)25/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyDWQYQZAXRQGITE-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.54
Rot. Bonds8

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide (PubChem CID 2469880) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide
PubChem CID2469880
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24N4O4/c1-4-24(20(27)17-7-6-12-21-19(17)28-5-2)13-18(26)23-16-10-8-15(9-11-16)22-14(3)25/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyDWQYQZAXRQGITE-UHFFFAOYSA-N
XLogP2.54
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide (CID 2469880) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide is CCOc1ncccc1C(=O)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
The InChIKey is DWQYQZAXRQGITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-4-24(20(27)17-7-6-12-21-19(17)28-5-2)13-18(26)23-16-10-8-15(9-11-16)22-14(3)25/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 2469880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).