N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide

C22H21N3O3 — CID 47064652

IUPACN-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCCOc1ccccc1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C22H21N3O3/c1-2-28-20-9-4-3-8-19(20)22(27)24-15-16-6-5-7-18(14-16)25-21(26)17-10-12-23-13-11-17/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyHRHZOKQLGLFLRB-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.66
Rot. Bonds7

About N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 47064652) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID47064652
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCCOc1ccccc1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C22H21N3O3/c1-2-28-20-9-4-3-8-19(20)22(27)24-15-16-6-5-7-18(14-16)25-21(26)17-10-12-23-13-11-17/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyHRHZOKQLGLFLRB-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-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 47060191
N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903083
N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627
N-[3-[[(3-hydroxynaphthalene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903332
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
CID 46415447
N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903588
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
CID 39574397
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 47064652) is N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide is CCOc1ccccc1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is HRHZOKQLGLFLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-2-28-20-9-4-3-8-19(20)22(27)24-15-16-6-5-7-18(14-16)25-21(26)17-10-12-23-13-11-17/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-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-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 47064652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).