N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide

C22H21N3O4 — CID 39676955

IUPACN-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)ccc1OC
InChIInChI=1S/C22H21N3O4/c1-3-29-20-13-16(7-8-19(20)28-2)22(27)25-18-6-4-5-17(14-18)24-21(26)15-9-11-23-12-10-15/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWSPGEBSCDLOEGN-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.99
Rot. Bonds7

About N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide

N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide (PubChem CID 39676955) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
PubChem CID39676955
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)ccc1OC
InChIInChI=1S/C22H21N3O4/c1-3-29-20-13-16(7-8-19(20)28-2)22(27)25-18-6-4-5-17(14-18)24-21(26)15-9-11-23-12-10-15/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWSPGEBSCDLOEGN-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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Related Compounds

N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide (CID 39676955) is N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide is CCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)ccc1OC.
What is the InChIKey of N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide?
The InChIKey is WSPGEBSCDLOEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-29-20-13-16(7-8-19(20)28-2)22(27)25-18-6-4-5-17(14-18)24-21(26)15-9-11-23-12-10-15/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide?
N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-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 N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 39676955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).