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

C20H25N3O4 — CID 109167576

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc(NCC3CCCO3)c2)cc1
InChIInChI=1S/C20H25N3O4/c1-25-16-4-6-17(7-5-16)27-12-10-22-20(24)15-8-9-21-19(13-15)23-14-18-3-2-11-26-18/h4-9,13,18H,2-3,10-12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyDMRJODNSIRMLCF-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.49
Rot. Bonds9

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

N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109167576) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
PubChem CID109167576
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc(NCC3CCCO3)c2)cc1
InChIInChI=1S/C20H25N3O4/c1-25-16-4-6-17(7-5-16)27-12-10-22-20(24)15-8-9-21-19(13-15)23-14-18-3-2-11-26-18/h4-9,13,18H,2-3,10-12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyDMRJODNSIRMLCF-UHFFFAOYSA-N
XLogP2.49
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167563
N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167551
N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206939
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174915
2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109167544
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083280
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 112975611
4-N-(2,4-dimethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083355

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide (CID 109167576) is N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide is COc1ccc(OCCNC(=O)c2ccnc(NCC3CCCO3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is DMRJODNSIRMLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-16-4-6-17(7-5-16)27-12-10-22-20(24)15-8-9-21-19(13-15)23-14-18-3-2-11-26-18/h4-9,13,18H,2-3,10-12,14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109167576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).