N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide

C27H20N4O5S — CID 23144087

IUPACN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide
SMILESCOc1ccc(COc2cc(C(=O)Nc3nc(-c4ccco4)c(C(=O)c4ccccn4)s3)ccn2)cc1
InChIInChI=1S/C27H20N4O5S/c1-34-19-9-7-17(8-10-19)16-36-22-15-18(11-13-29-22)26(33)31-27-30-23(21-6-4-14-35-21)25(37-27)24(32)20-5-2-3-12-28-20/h2-15H,16H2,1H3,(H,30,31,33)
InChIKeyABNZGMDFJSOOOE-UHFFFAOYSA-N
MW512.55 g/mol
LogP5.26
Rot. Bonds9

About N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide

N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide (PubChem CID 23144087) has the molecular formula C27H20N4O5S and a molecular weight of 512.55 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide
PubChem CID23144087
Molecular FormulaC27H20N4O5S
Molecular Weight512.55 g/mol
Exact Mass512.12
IUPAC NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide
SMILESCOc1ccc(COc2cc(C(=O)Nc3nc(-c4ccco4)c(C(=O)c4ccccn4)s3)ccn2)cc1
InChIInChI=1S/C27H20N4O5S/c1-34-19-9-7-17(8-10-19)16-36-22-15-18(11-13-29-22)26(33)31-27-30-23(21-6-4-14-35-21)25(37-27)24(32)20-5-2-3-12-28-20/h2-15H,16H2,1H3,(H,30,31,33)
InChIKeyABNZGMDFJSOOOE-UHFFFAOYSA-N
XLogP5.26
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide (CID 23144087) is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide is COc1ccc(COc2cc(C(=O)Nc3nc(-c4ccco4)c(C(=O)c4ccccn4)s3)ccn2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide?
The InChIKey is ABNZGMDFJSOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O5S/c1-34-19-9-7-17(8-10-19)16-36-22-15-18(11-13-29-22)26(33)31-27-30-23(21-6-4-14-35-21)25(37-27)24(32)20-5-2-3-12-28-20/h2-15H,16H2,1H3,(H,30,31,33).
What are the key properties of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide has a molecular weight of 512.55 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)methoxy]pyridine-4-carboxamide is sourced from PubChem (CID 23144087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).