N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C22H24N4O3 — CID 126471732

IUPACN-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(C)nc2NCc2cccnc2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-5-10-20(21(26-16)25-15-17-4-3-11-23-14-17)22(27)24-12-13-29-19-8-6-18(28-2)7-9-19/h3-11,14H,12-13,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyJFSHAXCHOJCDAF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.21
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 126471732) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID126471732
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(C)nc2NCc2cccnc2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-5-10-20(21(26-16)25-15-17-4-3-11-23-14-17)22(27)24-12-13-29-19-8-6-18(28-2)7-9-19/h3-11,14H,12-13,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyJFSHAXCHOJCDAF-UHFFFAOYSA-N
XLogP3.21
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.21
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

N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329883
N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090736
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860749
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 51097476
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473939
1-[2-(4-bromophenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 112971288
N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
CID 108526026
N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 126471732) is N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is COc1ccc(OCCNC(=O)c2ccc(C)nc2NCc2cccnc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is JFSHAXCHOJCDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-5-10-20(21(26-16)25-15-17-4-3-11-23-14-17)22(27)24-12-13-29-19-8-6-18(28-2)7-9-19/h3-11,14H,12-13,15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.21, 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]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 126471732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).