N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide

C16H12N2O3S — CID 90612101

IUPACN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccncc1
InChIInChI=1S/C16H12N2O3S/c19-15(13-2-1-9-21-13)14-4-3-12(22-14)10-18-16(20)11-5-7-17-8-6-11/h1-9H,10H2,(H,18,20)
InChIKeyQBJHZKOFODCMPE-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.90
Rot. Bonds5

About N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 90612101) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
PubChem CID90612101
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccncc1
InChIInChI=1S/C16H12N2O3S/c19-15(13-2-1-9-21-13)14-4-3-12(22-14)10-18-16(20)11-5-7-17-8-6-11/h1-9H,10H2,(H,18,20)
InChIKeyQBJHZKOFODCMPE-UHFFFAOYSA-N
XLogP2.90
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90612194
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 90612104
2,6-difluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717493
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 90612252
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 90612127
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90612474
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1H-indole-2-carboxamide
CID 90613186
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 90612110
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
CID 90612120
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90612463
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 99873315

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide (CID 90612101) is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccncc1.
What is the InChIKey of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is QBJHZKOFODCMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-15(13-2-1-9-21-13)14-4-3-12(22-14)10-18-16(20)11-5-7-17-8-6-11/h1-9H,10H2,(H,18,20).
What are the key properties of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide?
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 90612101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).