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

C21H22N4O2 — CID 109214693

IUPAC4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C21H22N4O2/c1-25(14-10-16-7-11-22-12-8-16)21(26)19-15-17(9-13-23-19)24-18-5-3-4-6-20(18)27-2/h3-9,11-13,15H,10,14H2,1-2H3,(H,23,24)
InChIKeyFDDTUAKOSVACJF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.54
Rot. Bonds7

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

4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 109214693) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID109214693
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C21H22N4O2/c1-25(14-10-16-7-11-22-12-8-16)21(26)19-15-17(9-13-23-19)24-18-5-3-4-6-20(18)27-2/h3-9,11-13,15H,10,14H2,1-2H3,(H,23,24)
InChIKeyFDDTUAKOSVACJF-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

4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
6-(2-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351686
N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109210768
N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide
CID 109210957
4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214020
N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214677
2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309086
6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351161
2-[(2-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109306143
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192889

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 109214693) is 4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is COc1ccccc1Nc1ccnc(C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of 4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is FDDTUAKOSVACJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(14-10-16-7-11-22-12-8-16)21(26)19-15-17(9-13-23-19)24-18-5-3-4-6-20(18)27-2/h3-9,11-13,15H,10,14H2,1-2H3,(H,23,24).
What are the key properties of 4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-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 4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109214693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).