N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide

C23H25N3O3 — CID 109216786

IUPACN-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(OCCNc2ccnc(C(=O)Nc3c(C)cccc3C)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-5-4-6-17(2)22(16)26-23(27)21-15-18(11-12-25-21)24-13-14-29-20-9-7-19(28-3)8-10-20/h4-12,15H,13-14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyKEWXXGPVBDSGQM-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.45
Rot. Bonds8

About N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide

N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide (PubChem CID 109216786) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
PubChem CID109216786
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(OCCNc2ccnc(C(=O)Nc3c(C)cccc3C)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-5-4-6-17(2)22(16)26-23(27)21-15-18(11-12-25-21)24-13-14-29-20-9-7-19(28-3)8-10-20/h4-12,15H,13-14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyKEWXXGPVBDSGQM-UHFFFAOYSA-N
XLogP4.45
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.45
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-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214598
N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216800
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214633
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
4-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220005
N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214209
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969
N-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212284
N-(2,4-dimethoxyphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205966
N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205952
N-(2-ethyl-6-methylphenyl)-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109220361
4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220006

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide (CID 109216786) is N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide is COc1ccc(OCCNc2ccnc(C(=O)Nc3c(C)cccc3C)c2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
The InChIKey is KEWXXGPVBDSGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-5-4-6-17(2)22(16)26-23(27)21-15-18(11-12-25-21)24-13-14-29-20-9-7-19(28-3)8-10-20/h4-12,15H,13-14H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109216786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).