5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide

C14H20ClN3OS — CID 133311263

IUPAC5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide
SMILESCCSC1CCCCN(c2ncc(C(N)=O)cc2Cl)C1
InChIInChI=1S/C14H20ClN3OS/c1-2-20-11-5-3-4-6-18(9-11)14-12(15)7-10(8-17-14)13(16)19/h7-8,11H,2-6,9H2,1H3,(H2,16,19)
InChIKeyVKTMRGFPQJIHMD-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.95
Rot. Bonds4

About 5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide

5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide (PubChem CID 133311263) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is 5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide
PubChem CID133311263
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide
SMILESCCSC1CCCCN(c2ncc(C(N)=O)cc2Cl)C1
InChIInChI=1S/C14H20ClN3OS/c1-2-20-11-5-3-4-6-18(9-11)14-12(15)7-10(8-17-14)13(16)19/h7-8,11H,2-6,9H2,1H3,(H2,16,19)
InChIKeyVKTMRGFPQJIHMD-UHFFFAOYSA-N
XLogP2.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
CID 95099262
5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133278205
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133380757
5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133362411
5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 71978493
5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133293875
6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide
CID 133480926
5-chloro-6-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 95763138
5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43590552
5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 133357797
5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 63537204

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide (CID 133311263) is 5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide is CCSC1CCCCN(c2ncc(C(N)=O)cc2Cl)C1.
What is the InChIKey of 5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide?
The InChIKey is VKTMRGFPQJIHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS/c1-2-20-11-5-3-4-6-18(9-11)14-12(15)7-10(8-17-14)13(16)19/h7-8,11H,2-6,9H2,1H3,(H2,16,19).
What are the key properties of 5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide?
5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide has a molecular weight of 313.85 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133311263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).