2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

C22H21N3O4 — CID 2511800

IUPAC2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H21N3O4/c1-3-29-22-19(5-4-14-23-22)21(27)25-16-8-6-15(7-9-16)20(26)24-17-10-12-18(28-2)13-11-17/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyAWNIRUCXJHUJPT-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.99
Rot. Bonds7

About 2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 2511800) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID2511800
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H21N3O4/c1-3-29-22-19(5-4-14-23-22)21(27)25-16-8-6-15(7-9-16)20(26)24-17-10-12-18(28-2)13-11-17/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyAWNIRUCXJHUJPT-UHFFFAOYSA-N
XLogP3.99
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 2511800) is 2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is AWNIRUCXJHUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-29-22-19(5-4-14-23-22)21(27)25-16-8-6-15(7-9-16)20(26)24-17-10-12-18(28-2)13-11-17/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2511800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).