5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide

C19H25ClN4O2S — CID 58317353

IUPAC5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(Cl)cc1C(=O)NC1CCC(CNc2nc(C)c(C)s2)CC1
InChIInChI=1S/C19H25ClN4O2S/c1-11-12(2)27-19(23-11)22-9-13-4-6-15(7-5-13)24-17(25)16-8-14(20)10-21-18(16)26-3/h8,10,13,15H,4-7,9H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyZAOVMJFAZGEVRK-UHFFFAOYSA-N
MW408.96 g/mol
LogP4.22
Rot. Bonds6

About 5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide

5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide (PubChem CID 58317353) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is 5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide
PubChem CID58317353
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC Name5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(Cl)cc1C(=O)NC1CCC(CNc2nc(C)c(C)s2)CC1
InChIInChI=1S/C19H25ClN4O2S/c1-11-12(2)27-19(23-11)22-9-13-4-6-15(7-5-13)24-17(25)16-8-14(20)10-21-18(16)26-3/h8,10,13,15H,4-7,9H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyZAOVMJFAZGEVRK-UHFFFAOYSA-N
XLogP4.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide (CID 58317353) is 5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide is COc1ncc(Cl)cc1C(=O)NC1CCC(CNc2nc(C)c(C)s2)CC1.
What is the InChIKey of 5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is ZAOVMJFAZGEVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2S/c1-11-12(2)27-19(23-11)22-9-13-4-6-15(7-5-13)24-17(25)16-8-14(20)10-21-18(16)26-3/h8,10,13,15H,4-7,9H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide?
5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 408.96 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 58317353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).