N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide

C26H20FN5O4 — CID 135936875

IUPACN-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide
SMILESN#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1
InChIInChI=1S/C26H20FN5O4/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)
InChIKeyXGMFBMLUJMADSO-UHFFFAOYSA-N
MW485.48 g/mol
LogP4.26
Rot. Bonds7

About N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide

N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide (PubChem CID 135936875) has the molecular formula C26H20FN5O4 and a molecular weight of 485.48 g/mol. Its IUPAC name is N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide
PubChem CID135936875
Molecular FormulaC26H20FN5O4
Molecular Weight485.48 g/mol
Exact Mass485.15
IUPAC NameN-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide
SMILESN#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1
InChIInChI=1S/C26H20FN5O4/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)
InChIKeyXGMFBMLUJMADSO-UHFFFAOYSA-N
XLogP4.26
TPSA154.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide (CID 135936875) is N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide is N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is XGMFBMLUJMADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O4/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35).
What are the key properties of N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide?
N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 485.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 135936875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).