2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide

C21H17FN4O2 — CID 66799611

IUPAC2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide
SMILESCC(Nc1cc(C#N)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O
InChIInChI=1S/C21H17FN4O2/c1-13(21(24)27)25-20-11-14(12-23)10-19(26-20)15-2-6-17(7-3-15)28-18-8-4-16(22)5-9-18/h2-11,13H,1H3,(H2,24,27)(H,25,26)
InChIKeyZEVZKWINDFBHAF-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.84
Rot. Bonds6

About 2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide

2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide (PubChem CID 66799611) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide
PubChem CID66799611
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide
SMILESCC(Nc1cc(C#N)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O
InChIInChI=1S/C21H17FN4O2/c1-13(21(24)27)25-20-11-14(12-23)10-19(26-20)15-2-6-17(7-3-15)28-18-8-4-16(22)5-9-18/h2-11,13H,1H3,(H2,24,27)(H,25,26)
InChIKeyZEVZKWINDFBHAF-UHFFFAOYSA-N
XLogP3.84
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
CID 83073416
methyl 2-[[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]amino]propanoate
CID 71283438
6-[(2-amino-2-oxoethyl)amino]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide;ethane
CID 144540865
6-[4-(4-fluorophenoxy)phenyl]-2-[[(2S)-3-oxobutan-2-yl]amino]pyrimidine-4-carboxamide
CID 118653205
methyl 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]pyrimidine-4-carboxylate
CID 71283656
2-[4-(4-fluorophenoxy)phenyl]-6-[(1-methoxy-1-oxopropan-2-yl)amino]pyrimidine-4-carboxylic acid
CID 71283696
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxylic acid;tert-butyl 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxylate
CID 161296573
6-[(1-amino-1-oxopropan-2-yl)amino]-2-[3-carbamoyl-4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 90390161
2,6-bis(4-fluorophenyl)pyridine-4-carbonitrile
CID 46313546
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-(4-fluorophenoxy)-3-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide
CID 71283644
6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[3-cyano-4-(1,1-difluorobut-3-enyl)phenoxy]phenyl]pyrimidine-4-carboxamide
CID 123759565
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789

Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide?
The IUPAC name of 2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide (CID 66799611) is 2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide.
What is the SMILES notation for 2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide?
The canonical SMILES for 2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide is CC(Nc1cc(C#N)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O.
What is the InChIKey of 2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide?
The InChIKey is ZEVZKWINDFBHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-13(21(24)27)25-20-11-14(12-23)10-19(26-20)15-2-6-17(7-3-15)28-18-8-4-16(22)5-9-18/h2-11,13H,1H3,(H2,24,27)(H,25,26).
What are the key properties of 2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide?
2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide has a molecular weight of 376.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 66799611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).