3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide

C15H12ClN3O2 — CID 64601175

IUPAC3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCOc2cncc(Cl)c2)cc1
InChIInChI=1S/C15H12ClN3O2/c16-12-7-14(10-18-9-12)21-6-5-15(20)19-13-3-1-11(8-17)2-4-13/h1-4,7,9-10H,5-6H2,(H,19,20)
InChIKeyRPOZKWOJVANVNM-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.01
Rot. Bonds5

About 3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide

3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide (PubChem CID 64601175) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide
PubChem CID64601175
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCOc2cncc(Cl)c2)cc1
InChIInChI=1S/C15H12ClN3O2/c16-12-7-14(10-18-9-12)21-6-5-15(20)19-13-3-1-11(8-17)2-4-13/h1-4,7,9-10H,5-6H2,(H,19,20)
InChIKeyRPOZKWOJVANVNM-UHFFFAOYSA-N
XLogP3.01
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29001508
[2-(4-cyanoanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 2399979
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide
CID 62315442
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
N-(4-cyanophenyl)-3-piperidin-4-yloxypropanamide
CID 63875090

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide (CID 64601175) is 3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide is N#Cc1ccc(NC(=O)CCOc2cncc(Cl)c2)cc1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide?
The InChIKey is RPOZKWOJVANVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-12-7-14(10-18-9-12)21-6-5-15(20)19-13-3-1-11(8-17)2-4-13/h1-4,7,9-10H,5-6H2,(H,19,20).
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide?
3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide has a molecular weight of 301.73 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 64601175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).