(4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone

C20H26N4O2 — CID 109168685

IUPAC(4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(Nc3cc(C)ccc3OC)c2)CC1
InChIInChI=1S/C20H26N4O2/c1-4-23-9-11-24(12-10-23)20(25)16-7-8-21-19(14-16)22-17-13-15(2)5-6-18(17)26-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,22)
InChIKeyLHWADEWATGTLKQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.92
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone (PubChem CID 109168685) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone
PubChem CID109168685
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(Nc3cc(C)ccc3OC)c2)CC1
InChIInChI=1S/C20H26N4O2/c1-4-23-9-11-24(12-10-23)20(25)16-7-8-21-19(14-16)22-17-13-15(2)5-6-18(17)26-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,22)
InChIKeyLHWADEWATGTLKQ-UHFFFAOYSA-N
XLogP2.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109154845
[2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109168715
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346083
N-(4-ethylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109176882
2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167087
azepan-1-yl-[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]methanone
CID 109176055
[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166204
[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116727
[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250025
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858485
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081755
(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 95970558

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone (CID 109168685) is (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone is CCN1CCN(C(=O)c2ccnc(Nc3cc(C)ccc3OC)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone?
The InChIKey is LHWADEWATGTLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-23-9-11-24(12-10-23)20(25)16-7-8-21-19(14-16)22-17-13-15(2)5-6-18(17)26-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,22).
What are the key properties of (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone is sourced from PubChem (CID 109168685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).