1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide

C25H18N4O3S — CID 23144537

IUPAC1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccncc2)s1)c1ccn(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C25H18N4O3S/c30-21-15-19(10-13-29(21)16-17-5-2-1-3-6-17)24(31)28-25-27-22(20-7-4-14-32-20)23(33-25)18-8-11-26-12-9-18/h1-15H,16H2,(H,27,28,31)
InChIKeyKKTMMNOMDBPVJO-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.93
Rot. Bonds6

About 1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide

1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide (PubChem CID 23144537) has the molecular formula C25H18N4O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is 1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
PubChem CID23144537
Molecular FormulaC25H18N4O3S
Molecular Weight454.51 g/mol
Exact Mass454.11
IUPAC Name1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccncc2)s1)c1ccn(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C25H18N4O3S/c30-21-15-19(10-13-29(21)16-17-5-2-1-3-6-17)24(31)28-25-27-22(20-7-4-14-32-20)23(33-25)18-8-11-26-12-9-18/h1-15H,16H2,(H,27,28,31)
InChIKeyKKTMMNOMDBPVJO-UHFFFAOYSA-N
XLogP4.93
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide (CID 23144537) is 1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(-c2ccncc2)s1)c1ccn(Cc2ccccc2)c(=O)c1.
What is the InChIKey of 1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?
The InChIKey is KKTMMNOMDBPVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3S/c30-21-15-19(10-13-29(21)16-17-5-2-1-3-6-17)24(31)28-25-27-22(20-7-4-14-32-20)23(33-25)18-8-11-26-12-9-18/h1-15H,16H2,(H,27,28,31).
What are the key properties of 1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?
1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 23144537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).