2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide

C21H27N3O3 — CID 109166348

IUPAC2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-18-7-9-19(10-8-18)27-14-13-23-21(25)16-11-12-22-20(15-16)24-17-5-3-2-4-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyOYVVJXAUXMGVKH-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.64
Rot. Bonds8

About 2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide

2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide (PubChem CID 109166348) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
PubChem CID109166348
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-18-7-9-19(10-8-18)27-14-13-23-21(25)16-11-12-22-20(15-16)24-17-5-3-2-4-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyOYVVJXAUXMGVKH-UHFFFAOYSA-N
XLogP3.64
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.64
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

2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167576
5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109274881
6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124661
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
2-(cycloheptylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172729
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109165237
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109175088
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 117086090
N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 63834324

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide (CID 109166348) is 2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide is COc1ccc(OCCNC(=O)c2ccnc(NC3CCCCC3)c2)cc1.
What is the InChIKey of 2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The InChIKey is OYVVJXAUXMGVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-7-9-19(10-8-18)27-14-13-23-21(25)16-11-12-22-20(15-16)24-17-5-3-2-4-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109166348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).