[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C19H24N4O — CID 109230145

IUPAC[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCN(c1ccccc1)c1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C19H24N4O/c1-3-23(17-7-5-4-6-8-17)18-13-16(14-20-15-18)19(24)22-11-9-21(2)10-12-22/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyPQYRHLPNNLZBEU-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.63
Rot. Bonds4

About [5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109230145) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109230145
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCN(c1ccccc1)c1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C19H24N4O/c1-3-23(17-7-5-4-6-8-17)18-13-16(14-20-15-18)19(24)22-11-9-21(2)10-12-22/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyPQYRHLPNNLZBEU-UHFFFAOYSA-N
XLogP2.63
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240527
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
[5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230121
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325932
[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367085
[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249997
[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238550
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703

Frequently Asked Questions

What is the IUPAC name of [5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109230145) is [5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CCN(c1ccccc1)c1cncc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of [5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PQYRHLPNNLZBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-23(17-7-5-4-6-8-17)18-13-16(14-20-15-18)19(24)22-11-9-21(2)10-12-22/h4-8,13-15H,3,9-12H2,1-2H3.
What are the key properties of [5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109230145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).