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

C23H24N4O2 — CID 109193419

IUPAC[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccccc1Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C23H24N4O2/c1-29-22-10-6-5-9-20(22)25-18-11-12-21(24-17-18)23(28)27-15-13-26(14-16-27)19-7-3-2-4-8-19/h2-12,17,25H,13-16H2,1H3
InChIKeyPOMARAKZLCRCKP-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.80
Rot. Bonds5

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

[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109193419) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109193419
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccccc1Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C23H24N4O2/c1-29-22-10-6-5-9-20(22)25-18-11-12-21(24-17-18)23(28)27-15-13-26(14-16-27)19-7-3-2-4-8-19/h2-12,17,25H,13-16H2,1H3
InChIKeyPOMARAKZLCRCKP-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

ethyl 4-[5-(2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194154
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237540
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194157
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182693
[5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194521
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
CID 109184691
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188270
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109193419) is [5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is COc1ccccc1Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of [5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is POMARAKZLCRCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-22-10-6-5-9-20(22)25-18-11-12-21(24-17-18)23(28)27-15-13-26(14-16-27)19-7-3-2-4-8-19/h2-12,17,25H,13-16H2,1H3.
What are the key properties of [5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[5-(2-methoxyanilino)-2-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)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109193419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).