4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide

C27H22FN7O2 — CID 66799589

IUPAC4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(N(CCc2nn[nH]n2)c2ccccc2)n1
InChIInChI=1S/C27H22FN7O2/c28-20-8-12-23(13-9-20)37-22-10-6-18(7-11-22)19-16-24(27(29)36)30-26(17-19)35(21-4-2-1-3-5-21)15-14-25-31-33-34-32-25/h1-13,16-17H,14-15H2,(H2,29,36)(H,31,32,33,34)
InChIKeySUXMUBOYFNLNJA-UHFFFAOYSA-N
MW495.52 g/mol
LogP4.67
Rot. Bonds9

About 4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide

4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide (PubChem CID 66799589) has the molecular formula C27H22FN7O2 and a molecular weight of 495.52 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide
PubChem CID66799589
Molecular FormulaC27H22FN7O2
Molecular Weight495.52 g/mol
Exact Mass495.18
IUPAC Name4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(N(CCc2nn[nH]n2)c2ccccc2)n1
InChIInChI=1S/C27H22FN7O2/c28-20-8-12-23(13-9-20)37-22-10-6-18(7-11-22)19-16-24(27(29)36)30-26(17-19)35(21-4-2-1-3-5-21)15-14-25-31-33-34-32-25/h1-13,16-17H,14-15H2,(H2,29,36)(H,31,32,33,34)
InChIKeySUXMUBOYFNLNJA-UHFFFAOYSA-N
XLogP4.67
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide (CID 66799589) is 4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(N(CCc2nn[nH]n2)c2ccccc2)n1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide?
The InChIKey is SUXMUBOYFNLNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7O2/c28-20-8-12-23(13-9-20)37-22-10-6-18(7-11-22)19-16-24(27(29)36)30-26(17-19)35(21-4-2-1-3-5-21)15-14-25-31-33-34-32-25/h1-13,16-17H,14-15H2,(H2,29,36)(H,31,32,33,34).
What are the key properties of 4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide?
4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenoxy)phenyl]-6-[N-[2-(2H-tetrazol-5-yl)ethyl]anilino]pyridine-2-carboxamide is sourced from PubChem (CID 66799589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).