5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

C21H22N4O2 — CID 109237031

IUPAC5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cncc(C(=O)N(C)CCc3ccncc3)c2)c1
InChIInChI=1S/C21H22N4O2/c1-25(11-8-16-6-9-22-10-7-16)21(26)17-12-19(15-23-14-17)24-18-4-3-5-20(13-18)27-2/h3-7,9-10,12-15,24H,8,11H2,1-2H3
InChIKeyXZOLURWKEJNZOC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.54
Rot. Bonds7

About 5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109237031) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109237031
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cncc(C(=O)N(C)CCc3ccncc3)c2)c1
InChIInChI=1S/C21H22N4O2/c1-25(11-8-16-6-9-22-10-7-16)21(26)17-12-19(15-23-14-17)24-18-4-3-5-20(13-18)27-2/h3-7,9-10,12-15,24H,8,11H2,1-2H3
InChIKeyXZOLURWKEJNZOC-UHFFFAOYSA-N
XLogP3.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237038
6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122715
5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237048
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006
3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424
methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109159242
5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109233675

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 109237031) is 5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is COc1cccc(Nc2cncc(C(=O)N(C)CCc3ccncc3)c2)c1.
What is the InChIKey of 5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is XZOLURWKEJNZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(11-8-16-6-9-22-10-7-16)21(26)17-12-19(15-23-14-17)24-18-4-3-5-20(13-18)27-2/h3-7,9-10,12-15,24H,8,11H2,1-2H3.
What are the key properties of 5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109237031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).