[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C19H24N4O2 — CID 109230172

IUPAC[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1ccccc1Nc1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-3-25-18-7-5-4-6-17(18)21-16-12-15(13-20-14-16)19(24)23-10-8-22(2)9-11-23/h4-7,12-14,21H,3,8-11H2,1-2H3
InChIKeyKIDCJCNWFUPWPY-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.61
Rot. Bonds5

About [5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109230172) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109230172
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1ccccc1Nc1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-3-25-18-7-5-4-6-17(18)21-16-12-15(13-20-14-16)19(24)23-10-8-22(2)9-11-23/h4-7,12-14,21H,3,8-11H2,1-2H3
InChIKeyKIDCJCNWFUPWPY-UHFFFAOYSA-N
XLogP2.61
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240550
ethyl 4-[5-(2-propan-2-ylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238308
(4-methylpiperazin-1-yl)-[5-[2-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109230180
4-[5-(2-methoxyanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230814
ethyl 4-[5-(2-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238304
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237540
ethyl 2-[[5-(4-acetylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109231144
1-[4-[5-(2-propan-2-ylanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231087
[5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230137
azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone
CID 109241297
[5-(2,6-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230222
methyl 2-[[5-(4-acetylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109231125

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109230172) is [5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CCOc1ccccc1Nc1cncc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of [5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KIDCJCNWFUPWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-25-18-7-5-4-6-17(18)21-16-12-15(13-20-14-16)19(24)23-10-8-22(2)9-11-23/h4-7,12-14,21H,3,8-11H2,1-2H3.
What are the key properties of [5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109230172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).