N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide

C22H19N3O4 — CID 39188511

IUPACN-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C22H19N3O4/c1-15(26)16-7-9-20(10-8-16)29-14-21(27)24-18-5-2-6-19(12-18)25-22(28)17-4-3-11-23-13-17/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyOHKBUZUOTCVREW-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.55
Rot. Bonds7

About N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 39188511) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID39188511
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C22H19N3O4/c1-15(26)16-7-9-20(10-8-16)29-14-21(27)24-18-5-2-6-19(12-18)25-22(28)17-4-3-11-23-13-17/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyOHKBUZUOTCVREW-UHFFFAOYSA-N
XLogP3.55
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187397
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925180
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
N-(4-acetylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487947
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925179
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 2709986
N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108922649

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide (CID 39188511) is N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide is CC(=O)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1.
What is the InChIKey of N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is OHKBUZUOTCVREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-15(26)16-7-9-20(10-8-16)29-14-21(27)24-18-5-2-6-19(12-18)25-22(28)17-4-3-11-23-13-17/h2-13H,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39188511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).