[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C23H24N4O2 — CID 109237540

IUPAC[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccccc1Nc1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H24N4O2/c1-29-22-10-6-5-9-21(22)25-19-15-18(16-24-17-19)23(28)27-13-11-26(12-14-27)20-7-3-2-4-8-20/h2-10,15-17,25H,11-14H2,1H3
InChIKeyVYRFFPXCQYLDQN-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.80
Rot. Bonds5

About [5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109237540) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109237540
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccccc1Nc1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H24N4O2/c1-29-22-10-6-5-9-21(22)25-19-15-18(16-24-17-19)23(28)27-13-11-26(12-14-27)20-7-3-2-4-8-20/h2-10,15-17,25H,11-14H2,1H3
InChIKeyVYRFFPXCQYLDQN-UHFFFAOYSA-N
XLogP3.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-methoxyanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230814
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109237604
[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237510
[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230172
azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone
CID 109241297
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225626
methyl 2-[[5-(4-acetylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109231125
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
methyl 2-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109241271

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109237540) is [5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is COc1ccccc1Nc1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of [5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is VYRFFPXCQYLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-22-10-6-5-9-21(22)25-19-15-18(16-24-17-19)23(28)27-13-11-26(12-14-27)20-7-3-2-4-8-20/h2-10,15-17,25H,11-14H2,1H3.
What are the key properties of [5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109237540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).