N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

C20H18N4O3S — CID 2458702

IUPACN-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c(C)n1Cc1ccco1
InChIInChI=1S/C20H18N4O3S/c1-12-8-16(13(2)24(12)10-15-4-3-7-27-15)17-11-28-20(22-17)23-19(26)14-5-6-18(25)21-9-14/h3-9,11H,10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyRUTVGLJFUSBQLW-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.81
Rot. Bonds5

About N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 2458702) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID2458702
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c(C)n1Cc1ccco1
InChIInChI=1S/C20H18N4O3S/c1-12-8-16(13(2)24(12)10-15-4-3-7-27-15)17-11-28-20(22-17)23-19(26)14-5-6-18(25)21-9-14/h3-9,11H,10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyRUTVGLJFUSBQLW-UHFFFAOYSA-N
XLogP3.81
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 2458702) is N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cc(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c(C)n1Cc1ccco1.
What is the InChIKey of N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RUTVGLJFUSBQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12-8-16(13(2)24(12)10-15-4-3-7-27-15)17-11-28-20(22-17)23-19(26)14-5-6-18(25)21-9-14/h3-9,11H,10H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2458702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).