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

C22H24N4O2 — CID 109173135

IUPAC2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)N(C)CCc3ccncc3)ccn2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-28-20-6-4-19(5-7-20)25-21-16-18(10-14-24-21)22(27)26(2)15-11-17-8-12-23-13-9-17/h4-10,12-14,16H,3,11,15H2,1-2H3,(H,24,25)
InChIKeyUZUDPYVJUJZAKY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.93
Rot. Bonds8

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

2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 109173135) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
PubChem CID109173135
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)N(C)CCc3ccncc3)ccn2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-28-20-6-4-19(5-7-20)25-21-16-18(10-14-24-21)22(27)26(2)15-11-17-8-12-23-13-9-17/h4-10,12-14,16H,3,11,15H2,1-2H3,(H,24,25)
InChIKeyUZUDPYVJUJZAKY-UHFFFAOYSA-N
XLogP3.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109165736
2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide
CID 109176932
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537
N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159233
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695
2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109170941
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372363
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237048
2-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177953

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide (CID 109173135) is 2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide is CCOc1ccc(Nc2cc(C(=O)N(C)CCc3ccncc3)ccn2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is UZUDPYVJUJZAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-28-20-6-4-19(5-7-20)25-21-16-18(10-14-24-21)22(27)26(2)15-11-17-8-12-23-13-9-17/h4-10,12-14,16H,3,11,15H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109173135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).