3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide

C21H21N3O2 — CID 112983036

IUPAC3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C21H21N3O2/c25-21(12-14-26-20-6-2-1-3-7-20)24-19-10-8-18(9-11-19)23-16-17-5-4-13-22-15-17/h1-11,13,15,23H,12,14,16H2,(H,24,25)
InChIKeyGRQCBDVAVYKDGP-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.10
Rot. Bonds8

About 3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide

3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide (PubChem CID 112983036) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide
PubChem CID112983036
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C21H21N3O2/c25-21(12-14-26-20-6-2-1-3-7-20)24-19-10-8-18(9-11-19)23-16-17-5-4-13-22-15-17/h1-11,13,15,23H,12,14,16H2,(H,24,25)
InChIKeyGRQCBDVAVYKDGP-UHFFFAOYSA-N
XLogP4.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide
CID 113012923
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191396
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide?
The IUPAC name of 3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide (CID 112983036) is 3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide is O=C(CCOc1ccccc1)Nc1ccc(NCc2cccnc2)cc1.
What is the InChIKey of 3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide?
The InChIKey is GRQCBDVAVYKDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(12-14-26-20-6-2-1-3-7-20)24-19-10-8-18(9-11-19)23-16-17-5-4-13-22-15-17/h1-11,13,15,23H,12,14,16H2,(H,24,25).
What are the key properties of 3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide?
3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 112983036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).