[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C19H24N4O — CID 109208139

IUPAC[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCN(c1ccccc1)c1ccnc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C19H24N4O/c1-3-23(16-7-5-4-6-8-16)17-9-10-20-18(15-17)19(24)22-13-11-21(2)12-14-22/h4-10,15H,3,11-14H2,1-2H3
InChIKeyWWXFQBBXCIOFRX-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.63
Rot. Bonds4

About [4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109208139) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109208139
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCN(c1ccccc1)c1ccnc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C19H24N4O/c1-3-23(16-7-5-4-6-8-16)17-9-10-20-18(15-17)19(24)22-13-11-21(2)12-14-22/h4-10,15H,3,11-14H2,1-2H3
InChIKeyWWXFQBBXCIOFRX-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

[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208548
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204542
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302364
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230145
[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367085
[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325932
N-methyl-2-(4-methylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084332
[2-(N-benzylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302332
N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084314
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109215179

Frequently Asked Questions

What is the IUPAC name of [4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109208139) is [4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CCN(c1ccccc1)c1ccnc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of [4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WWXFQBBXCIOFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-23(16-7-5-4-6-8-16)17-9-10-20-18(15-17)19(24)22-13-11-21(2)12-14-22/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of [4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[4-(N-ethylanilino)-2-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 [4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109208139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).