5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide

C28H40ClN3O2 — CID 143623145

IUPAC5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide
SMILESCCc1ncc(C(=O)NC2CCCCCN(C(C)c3ccc(OC)c(C)c3C)C(C)C2)cc1Cl
InChIInChI=1S/C28H40ClN3O2/c1-7-26-25(29)16-22(17-30-26)28(33)31-23-11-9-8-10-14-32(18(2)15-23)21(5)24-12-13-27(34-6)20(4)19(24)3/h12-13,16-18,21,23H,7-11,14-15H2,1-6H3,(H,31,33)
InChIKeyLRNKLLJHCDIAFS-UHFFFAOYSA-N
MW486.10 g/mol
LogP6.44
Rot. Bonds6

About 5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide

5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide (PubChem CID 143623145) has the molecular formula C28H40ClN3O2 and a molecular weight of 486.10 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide
PubChem CID143623145
Molecular FormulaC28H40ClN3O2
Molecular Weight486.10 g/mol
Exact Mass485.28
IUPAC Name5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide
SMILESCCc1ncc(C(=O)NC2CCCCCN(C(C)c3ccc(OC)c(C)c3C)C(C)C2)cc1Cl
InChIInChI=1S/C28H40ClN3O2/c1-7-26-25(29)16-22(17-30-26)28(33)31-23-11-9-8-10-14-32(18(2)15-23)21(5)24-12-13-27(34-6)20(4)19(24)3/h12-13,16-18,21,23H,7-11,14-15H2,1-6H3,(H,31,33)
InChIKeyLRNKLLJHCDIAFS-UHFFFAOYSA-N
XLogP6.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.10
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide
CID 71124578
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CID 55959163
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
3-chloro-N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxybenzamide
CID 143623398
3-N-(3-chloro-4-methoxyphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103098
N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 71124574
5-ethynyl-N-[8-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide
CID 24966612
3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide
CID 24504215
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide
CID 71124949
(6-chloro-3-pyridinyl)-[(1S)-5-[(1S)-1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
CID 143169362

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide (CID 143623145) is 5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide is CCc1ncc(C(=O)NC2CCCCCN(C(C)c3ccc(OC)c(C)c3C)C(C)C2)cc1Cl.
What is the InChIKey of 5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide?
The InChIKey is LRNKLLJHCDIAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40ClN3O2/c1-7-26-25(29)16-22(17-30-26)28(33)31-23-11-9-8-10-14-32(18(2)15-23)21(5)24-12-13-27(34-6)20(4)19(24)3/h12-13,16-18,21,23H,7-11,14-15H2,1-6H3,(H,31,33).
What are the key properties of 5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide?
5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide has a molecular weight of 486.10 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143623145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).