N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

C13H13ClN2O2S — CID 71938396

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(C)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-8(10-4-5-11(14)19-10)15-13(18)9-3-6-12(17)16(2)7-9/h3-8H,1-2H3,(H,15,18)
InChIKeyHUZNJNRCQDZNOC-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.59
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 71938396) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID71938396
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(C)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-8(10-4-5-11(14)19-10)15-13(18)9-3-6-12(17)16(2)7-9/h3-8H,1-2H3,(H,15,18)
InChIKeyHUZNJNRCQDZNOC-UHFFFAOYSA-N
XLogP2.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
CID 39271617
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 63211741
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
N-[1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 75461927
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 94034384
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 86825465

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 71938396) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)n(C)c1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is HUZNJNRCQDZNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8(10-4-5-11(14)19-10)15-13(18)9-3-6-12(17)16(2)7-9/h3-8H,1-2H3,(H,15,18).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 71938396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).