2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide

C23H25N3O3 — CID 31667067

IUPAC2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C23H25N3O3/c1-17-8-6-9-18(16-17)29-15-14-26(2)23(27)19-10-7-13-24-22(19)25-20-11-4-5-12-21(20)28-3/h4-13,16H,14-15H2,1-3H3,(H,24,25)
InChIKeyBMUBLQXTSPWJSD-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.29
Rot. Bonds8

About 2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide

2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 31667067) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
PubChem CID31667067
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C23H25N3O3/c1-17-8-6-9-18(16-17)29-15-14-26(2)23(27)19-10-7-13-24-22(19)25-20-11-4-5-12-21(20)28-3/h4-13,16H,14-15H2,1-3H3,(H,24,25)
InChIKeyBMUBLQXTSPWJSD-UHFFFAOYSA-N
XLogP4.29
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide (CID 31667067) is 2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)N(C)CCOc1cccc(C)c1.
What is the InChIKey of 2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is BMUBLQXTSPWJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-8-6-9-18(16-17)29-15-14-26(2)23(27)19-10-7-13-24-22(19)25-20-11-4-5-12-21(20)28-3/h4-13,16H,14-15H2,1-3H3,(H,24,25).
What are the key properties of 2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 31667067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).