N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide

C22H29N3O3 — CID 109182948

IUPACN-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)NC3CCCCC3)nc2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-11-8-16(14-21(20)28-2)12-13-23-18-9-10-19(24-15-18)22(26)25-17-6-4-3-5-7-17/h8-11,14-15,17,23H,3-7,12-13H2,1-2H3,(H,25,26)
InChIKeyBLMXXHWIFPUQDL-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.82
Rot. Bonds8

About N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide

N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109182948) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109182948
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)NC3CCCCC3)nc2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-11-8-16(14-21(20)28-2)12-13-23-18-9-10-19(24-15-18)22(26)25-17-6-4-3-5-7-17/h8-11,14-15,17,23H,3-7,12-13H2,1-2H3,(H,25,26)
InChIKeyBLMXXHWIFPUQDL-UHFFFAOYSA-N
XLogP3.82
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109193613
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109193638
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028985
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide (CID 109182948) is N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide is COc1ccc(CCNc2ccc(C(=O)NC3CCCCC3)nc2)cc1OC.
What is the InChIKey of N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is BLMXXHWIFPUQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-11-8-16(14-21(20)28-2)12-13-23-18-9-10-19(24-15-18)22(26)25-17-6-4-3-5-7-17/h8-11,14-15,17,23H,3-7,12-13H2,1-2H3,(H,25,26).
What are the key properties of N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide?
N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109182948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).