N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide

C18H21N3O4 — CID 857976

IUPACN-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(C)=O
InChIInChI=1S/C18H21N3O4/c1-4-24-16-11-15(21-18(23)13-8-6-7-9-19-13)17(25-5-2)10-14(16)20-12(3)22/h6-11H,4-5H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQQXCIRPOZZPZPG-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.09
Rot. Bonds7

About N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide

N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide (PubChem CID 857976) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide
PubChem CID857976
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(C)=O
InChIInChI=1S/C18H21N3O4/c1-4-24-16-11-15(21-18(23)13-8-6-7-9-19-13)17(25-5-2)10-14(16)20-12(3)22/h6-11H,4-5H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQQXCIRPOZZPZPG-UHFFFAOYSA-N
XLogP3.09
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide (CID 857976) is N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide is CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is QQXCIRPOZZPZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-24-16-11-15(21-18(23)13-8-6-7-9-19-13)17(25-5-2)10-14(16)20-12(3)22/h6-11H,4-5H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide?
N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2,5-diethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 857976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).