[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C23H24N4O2 — CID 109159643

IUPAC[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cccc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2)c1
InChIInChI=1S/C23H24N4O2/c1-29-21-9-5-6-19(16-21)25-22-11-10-18(17-24-22)23(28)27-14-12-26(13-15-27)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3,(H,24,25)
InChIKeyDZMOQGYNAAZGTR-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.80
Rot. Bonds5

About [6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109159643) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109159643
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cccc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2)c1
InChIInChI=1S/C23H24N4O2/c1-29-21-9-5-6-19(16-21)25-22-11-10-18(17-24-22)23(28)27-14-12-26(13-15-27)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3,(H,24,25)
InChIKeyDZMOQGYNAAZGTR-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

[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109160392
[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159635
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
CID 109162071
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109155045
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261123
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237540
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109159643) is [6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is COc1cccc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2)c1.
What is the InChIKey of [6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is DZMOQGYNAAZGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-21-9-5-6-19(16-21)25-22-11-10-18(17-24-22)23(28)27-14-12-26(13-15-27)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3,(H,24,25).
What are the key properties of [6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[6-(3-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 [6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109159643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).