N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide

C22H29N3O3 — CID 109239199

IUPACN-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
SMILESCOc1ccc(OCCNc2cncc(C(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-27-20-8-10-21(11-9-20)28-13-12-24-19-14-17(15-23-16-19)22(26)25-18-6-4-2-3-5-7-18/h8-11,14-16,18,24H,2-7,12-13H2,1H3,(H,25,26)
InChIKeyPHEYNYLNBCYXKL-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.03
Rot. Bonds8

About N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide

N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide (PubChem CID 109239199) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
PubChem CID109239199
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
SMILESCOc1ccc(OCCNc2cncc(C(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-27-20-8-10-21(11-9-20)28-13-12-24-19-14-17(15-23-16-19)22(26)25-18-6-4-2-3-5-7-18/h8-11,14-16,18,24H,2-7,12-13H2,1H3,(H,25,26)
InChIKeyPHEYNYLNBCYXKL-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109225918
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239213
(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone
CID 109239202
[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227058
N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
CID 109239498
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-cyclopentyl-5-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109226008
N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239217
N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229945
N-(2,3-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239216
5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109226851

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide (CID 109239199) is N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide is COc1ccc(OCCNc2cncc(C(=O)NC3CCCCCC3)c2)cc1.
What is the InChIKey of N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The InChIKey is PHEYNYLNBCYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-8-10-21(11-9-20)28-13-12-24-19-14-17(15-23-16-19)22(26)25-18-6-4-2-3-5-7-18/h8-11,14-16,18,24H,2-7,12-13H2,1H3,(H,25,26).
What are the key properties of N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109239199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).