N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide

C21H17N3O2 — CID 48872559

IUPACN-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)CCc3cccnc3)cc2)cc1
InChIInChI=1S/C21H17N3O2/c22-14-16-3-8-19(9-4-16)26-20-10-6-18(7-11-20)24-21(25)12-5-17-2-1-13-23-15-17/h1-4,6-11,13,15H,5,12H2,(H,24,25)
InChIKeyDWFBDIIOGIEBKU-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.32
Rot. Bonds6

About N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide

N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 48872559) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide
PubChem CID48872559
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)CCc3cccnc3)cc2)cc1
InChIInChI=1S/C21H17N3O2/c22-14-16-3-8-19(9-4-16)26-20-10-6-18(7-11-20)24-21(25)12-5-17-2-1-13-23-15-17/h1-4,6-11,13,15H,5,12H2,(H,24,25)
InChIKeyDWFBDIIOGIEBKU-UHFFFAOYSA-N
XLogP4.32
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131892802
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
N-(2-cyanophenyl)-3-pyridin-3-ylpropanamide
CID 110864606
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 33494417
N-[2-(4-ethoxyphenoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 29224760
4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
CID 110425632
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 113163707
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 40718725

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide (CID 48872559) is N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide is N#Cc1ccc(Oc2ccc(NC(=O)CCc3cccnc3)cc2)cc1.
What is the InChIKey of N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide?
The InChIKey is DWFBDIIOGIEBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c22-14-16-3-8-19(9-4-16)26-20-10-6-18(7-11-20)24-21(25)12-5-17-2-1-13-23-15-17/h1-4,6-11,13,15H,5,12H2,(H,24,25).
What are the key properties of N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide?
N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 343.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 48872559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).