N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide

C24H25N3O4 — CID 1441369

IUPACN-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25N3O4/c1-4-30-21-15-20(27-24(29)18-8-6-7-13-25-18)22(31-5-2)14-19(21)26-23(28)17-11-9-16(3)10-12-17/h6-15H,4-5H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyAZEGFXFEIRGTQY-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.69
Rot. Bonds8

About N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide

N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide (PubChem CID 1441369) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide
PubChem CID1441369
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25N3O4/c1-4-30-21-15-20(27-24(29)18-8-6-7-13-25-18)22(31-5-2)14-19(21)26-23(28)17-11-9-16(3)10-12-17/h6-15H,4-5H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyAZEGFXFEIRGTQY-UHFFFAOYSA-N
XLogP4.69
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide (CID 1441369) is N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide is CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide?
The InChIKey is AZEGFXFEIRGTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-4-30-21-15-20(27-24(29)18-8-6-7-13-25-18)22(31-5-2)14-19(21)26-23(28)17-11-9-16(3)10-12-17/h6-15H,4-5H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide?
N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 1441369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).