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

C22H29N3O3 — CID 109174903

IUPAC2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc(NC3CCCCCC3)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-27-19-8-10-20(11-9-19)28-15-14-24-22(26)17-12-13-23-21(16-17)25-18-6-4-2-3-5-7-18/h8-13,16,18H,2-7,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyOJBIGVASAWITAS-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.03
Rot. Bonds8

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

2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide (PubChem CID 109174903) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
PubChem CID109174903
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc(NC3CCCCCC3)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-27-19-8-10-20(11-9-19)28-15-14-24-22(26)17-12-13-23-21(16-17)25-18-6-4-2-3-5-7-18/h8-13,16,18H,2-7,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyOJBIGVASAWITAS-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

2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
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-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide (CID 109174903) is 2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide is COc1ccc(OCCNC(=O)c2ccnc(NC3CCCCCC3)c2)cc1.
What is the InChIKey of 2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
The InChIKey is OJBIGVASAWITAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-19-8-10-20(11-9-19)28-15-14-24-22(26)17-12-13-23-21(16-17)25-18-6-4-2-3-5-7-18/h8-13,16,18H,2-7,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide?
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-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 2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109174903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).