3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide

C14H15ClN2OS — CID 95932132

IUPAC3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
SMILESCc1cc([C@H](C)NC(=O)c2ccncc2Cl)c(C)s1
InChIInChI=1S/C14H15ClN2OS/c1-8-6-12(10(3)19-8)9(2)17-14(18)11-4-5-16-7-13(11)15/h4-7,9H,1-3H3,(H,17,18)/t9-/m0/s1
InChIKeyBGILVLHLUSTVKM-VIFPVBQESA-N
MW294.81 g/mol
LogP3.90
Rot. Bonds3

About 3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide

3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 95932132) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID95932132
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
SMILESCc1cc([C@H](C)NC(=O)c2ccncc2Cl)c(C)s1
InChIInChI=1S/C14H15ClN2OS/c1-8-6-12(10(3)19-8)9(2)17-14(18)11-4-5-16-7-13(11)15/h4-7,9H,1-3H3,(H,17,18)/t9-/m0/s1
InChIKeyBGILVLHLUSTVKM-VIFPVBQESA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide
CID 81242851
5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid
CID 146143160
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103891941
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62247454
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 99812966
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
2-chloro-N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide
CID 51937947
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 47168017

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide (CID 95932132) is 3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide is Cc1cc([C@H](C)NC(=O)c2ccncc2Cl)c(C)s1.
What is the InChIKey of 3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is BGILVLHLUSTVKM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-8-6-12(10(3)19-8)9(2)17-14(18)11-4-5-16-7-13(11)15/h4-7,9H,1-3H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide?
3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 95932132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).