1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide

C22H16FN3O2 — CID 167789716

IUPAC1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESN#Cc1cccc(C2(C(=O)Nc3ccc(Oc4ccc(F)cc4)cn3)CC2)c1
InChIInChI=1S/C22H16FN3O2/c23-17-4-6-18(7-5-17)28-19-8-9-20(25-14-19)26-21(27)22(10-11-22)16-3-1-2-15(12-16)13-24/h1-9,12,14H,10-11H2,(H,25,26,27)
InChIKeyANYWUJBBEGBGIQ-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.55
Rot. Bonds5

About 1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide

1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 167789716) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID167789716
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESN#Cc1cccc(C2(C(=O)Nc3ccc(Oc4ccc(F)cc4)cn3)CC2)c1
InChIInChI=1S/C22H16FN3O2/c23-17-4-6-18(7-5-17)28-19-8-9-20(25-14-19)26-21(27)22(10-11-22)16-3-1-2-15(12-16)13-24/h1-9,12,14H,10-11H2,(H,25,26,27)
InChIKeyANYWUJBBEGBGIQ-UHFFFAOYSA-N
XLogP4.55
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 62880545
1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 138047410
(2R)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-(4-fluorophenyl)propanamide
CID 167906425
1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide
CID 91650350
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 138006308
N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 82683758
[2-(3-cyanoanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866415
(2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120941039
(3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide
CID 95594016
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 91229001

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide (CID 167789716) is 1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide is N#Cc1cccc(C2(C(=O)Nc3ccc(Oc4ccc(F)cc4)cn3)CC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is ANYWUJBBEGBGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-17-4-6-18(7-5-17)28-19-8-9-20(25-14-19)26-21(27)22(10-11-22)16-3-1-2-15(12-16)13-24/h1-9,12,14H,10-11H2,(H,25,26,27).
What are the key properties of 1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167789716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).