N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide

C13H13ClN2OS — CID 39911714

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1ccccn1
InChIInChI=1S/C13H13ClN2OS/c1-2-16(9-10-6-7-12(14)18-10)13(17)11-5-3-4-8-15-11/h3-8H,2,9H2,1H3
InChIKeyWDVRFKNUSVPWBA-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.46
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide (PubChem CID 39911714) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
PubChem CID39911714
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1ccccn1
InChIInChI=1S/C13H13ClN2OS/c1-2-16(9-10-6-7-12(14)18-10)13(17)11-5-3-4-8-15-11/h3-8H,2,9H2,1H3
InChIKeyWDVRFKNUSVPWBA-UHFFFAOYSA-N
XLogP3.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55757404
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-ethylpyridine-2-carboxamide
CID 62233456
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea
CID 47125820
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide
CID 24676476
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 26708054
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 78792331
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide
CID 9115919

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide (CID 39911714) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1ccccn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide?
The InChIKey is WDVRFKNUSVPWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-16(9-10-6-7-12(14)18-10)13(17)11-5-3-4-8-15-11/h3-8H,2,9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 39911714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).