N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

C22H21N3O3 — CID 108925525

IUPACN-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-2-28-20-11-7-17(8-12-20)22(27)25-19-9-5-16(6-10-19)14-24-21(26)18-4-3-13-23-15-18/h3-13,15H,2,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyXWIDLLSBSBLSGZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.66
Rot. Bonds7

About N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925525) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925525
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-2-28-20-11-7-17(8-12-20)22(27)25-19-9-5-16(6-10-19)14-24-21(26)18-4-3-13-23-15-18/h3-13,15H,2,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyXWIDLLSBSBLSGZ-UHFFFAOYSA-N
XLogP3.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
CID 972166
N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925977

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108925525) is N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is XWIDLLSBSBLSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-2-28-20-11-7-17(8-12-20)22(27)25-19-9-5-16(6-10-19)14-24-21(26)18-4-3-13-23-15-18/h3-13,15H,2,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).