N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C26H18N4O4S — CID 23144556

IUPACN-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(=O)n(Cc3ccccc3)c2)s1)c1ccncc1
InChIInChI=1S/C26H18N4O4S/c31-21-9-8-19(16-30(21)15-17-5-2-1-3-6-17)23(32)24-22(20-7-4-14-34-20)28-26(35-24)29-25(33)18-10-12-27-13-11-18/h1-14,16H,15H2,(H,28,29,33)
InChIKeyCZDJBKQYJLPSSD-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.49
Rot. Bonds7

About N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144556) has the molecular formula C26H18N4O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144556
Molecular FormulaC26H18N4O4S
Molecular Weight482.52 g/mol
Exact Mass482.10
IUPAC NameN-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(=O)n(Cc3ccccc3)c2)s1)c1ccncc1
InChIInChI=1S/C26H18N4O4S/c31-21-9-8-19(16-30(21)15-17-5-2-1-3-6-17)23(32)24-22(20-7-4-14-34-20)28-26(35-24)29-25(33)18-10-12-27-13-11-18/h1-14,16H,15H2,(H,28,29,33)
InChIKeyCZDJBKQYJLPSSD-UHFFFAOYSA-N
XLogP4.49
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144556) is N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(=O)n(Cc3ccccc3)c2)s1)c1ccncc1.
What is the InChIKey of N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is CZDJBKQYJLPSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O4S/c31-21-9-8-19(16-30(21)15-17-5-2-1-3-6-17)23(32)24-22(20-7-4-14-34-20)28-26(35-24)29-25(33)18-10-12-27-13-11-18/h1-14,16H,15H2,(H,28,29,33).
What are the key properties of N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).