N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

C11H9ClN2O2S — CID 107261709

IUPACN-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1cccc(=O)[nH]1
InChIInChI=1S/C11H9ClN2O2S/c12-9-5-4-7(17-9)6-13-11(16)8-2-1-3-10(15)14-8/h1-5H,6H2,(H,13,16)(H,14,15)
InChIKeyVYUJGLBVIQQFEC-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.02
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 107261709) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.72 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID107261709
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Exact Mass268.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1cccc(=O)[nH]1
InChIInChI=1S/C11H9ClN2O2S/c12-9-5-4-7(17-9)6-13-11(16)8-2-1-3-10(15)14-8/h1-5H,6H2,(H,13,16)(H,14,15)
InChIKeyVYUJGLBVIQQFEC-UHFFFAOYSA-N
XLogP2.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
CID 114344423
N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-N-prop-2-enyl-1H-pyridine-2-carboxamide
CID 107362754
6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide
CID 107261797
2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 115540742
N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040397
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide
CID 33177904
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519034
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 63652849
3-[3-[(5-chlorothiophen-2-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 77033251

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 107261709) is N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is O=C(NCc1ccc(Cl)s1)c1cccc(=O)[nH]1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is VYUJGLBVIQQFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-9-5-4-7(17-9)6-13-11(16)8-2-1-3-10(15)14-8/h1-5H,6H2,(H,13,16)(H,14,15).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 268.72 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).