[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

C24H34N4O — CID 109208531

IUPAC[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Nc3c(C(C)C)cccc3C(C)C)ccn2)CC1
InChIInChI=1S/C24H34N4O/c1-6-27-12-14-28(15-13-27)24(29)22-16-19(10-11-25-22)26-23-20(17(2)3)8-7-9-21(23)18(4)5/h7-11,16-18H,6,12-15H2,1-5H3,(H,25,26)
InChIKeyRVCNVMSBPLXNFU-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.85
Rot. Bonds6

About [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109208531) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109208531
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Nc3c(C(C)C)cccc3C(C)C)ccn2)CC1
InChIInChI=1S/C24H34N4O/c1-6-27-12-14-28(15-13-27)24(29)22-16-19(10-11-25-22)26-23-20(17(2)3)8-7-9-21(23)18(4)5/h7-11,16-18H,6,12-15H2,1-5H3,(H,25,26)
InChIKeyRVCNVMSBPLXNFU-UHFFFAOYSA-N
XLogP4.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone with MolForge

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Related Compounds

2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084586
3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109208546
[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208539
2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109208545
methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208518
4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208785
[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186401
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone
CID 109203469
(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109208424
[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208197
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151

Frequently Asked Questions

What is the IUPAC name of [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 109208531) is [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(Nc3c(C(C)C)cccc3C(C)C)ccn2)CC1.
What is the InChIKey of [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is RVCNVMSBPLXNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-6-27-12-14-28(15-13-27)24(29)22-16-19(10-11-25-22)26-23-20(17(2)3)8-7-9-21(23)18(4)5/h7-11,16-18H,6,12-15H2,1-5H3,(H,25,26).
What are the key properties of [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 394.56 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109208531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).