5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide

C20H25ClN2O5 — CID 58833148

IUPAC5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCOc1cc(-c2cncc(C(=O)NC(CO)C(C)C)c2)c(Cl)c(OC)c1OC
InChIInChI=1S/C20H25ClN2O5/c1-11(2)15(10-24)23-20(25)13-6-12(8-22-9-13)14-7-16(26-3)18(27-4)19(28-5)17(14)21/h6-9,11,15,24H,10H2,1-5H3,(H,23,25)
InChIKeyXXEAKVOMMWLNKQ-UHFFFAOYSA-N
MW408.88 g/mol
LogP3.17
Rot. Bonds8

About 5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide

5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 58833148) has the molecular formula C20H25ClN2O5 and a molecular weight of 408.88 g/mol. Its IUPAC name is 5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID58833148
Molecular FormulaC20H25ClN2O5
Molecular Weight408.88 g/mol
Exact Mass408.15
IUPAC Name5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCOc1cc(-c2cncc(C(=O)NC(CO)C(C)C)c2)c(Cl)c(OC)c1OC
InChIInChI=1S/C20H25ClN2O5/c1-11(2)15(10-24)23-20(25)13-6-12(8-22-9-13)14-7-16(26-3)18(27-4)19(28-5)17(14)21/h6-9,11,15,24H,10H2,1-5H3,(H,23,25)
InChIKeyXXEAKVOMMWLNKQ-UHFFFAOYSA-N
XLogP3.17
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019
5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
CID 58833168
N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide
CID 46032150
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide
CID 103759053
N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109223331
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 79253137
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide
CID 79247786
5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 97327743

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide (CID 58833148) is 5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide is COc1cc(-c2cncc(C(=O)NC(CO)C(C)C)c2)c(Cl)c(OC)c1OC.
What is the InChIKey of 5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is XXEAKVOMMWLNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5/c1-11(2)15(10-24)23-20(25)13-6-12(8-22-9-13)14-7-16(26-3)18(27-4)19(28-5)17(14)21/h6-9,11,15,24H,10H2,1-5H3,(H,23,25).
What are the key properties of 5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide?
5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 408.88 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 58833148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).