[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C24H26N4O — CID 109160392

IUPAC[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(Nc2ccc(C(=O)N3CCN(c4cccc(C)c4)CC3)cn2)c1
InChIInChI=1S/C24H26N4O/c1-18-5-3-7-21(15-18)26-23-10-9-20(17-25-23)24(29)28-13-11-27(12-14-28)22-8-4-6-19(2)16-22/h3-10,15-17H,11-14H2,1-2H3,(H,25,26)
InChIKeyUNGZKTFBTHPSPR-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.40
Rot. Bonds4

About [6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 109160392) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID109160392
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(Nc2ccc(C(=O)N3CCN(c4cccc(C)c4)CC3)cn2)c1
InChIInChI=1S/C24H26N4O/c1-18-5-3-7-21(15-18)26-23-10-9-20(17-25-23)24(29)28-13-11-27(12-14-28)22-8-4-6-19(2)16-22/h3-10,15-17H,11-14H2,1-2H3,(H,25,26)
InChIKeyUNGZKTFBTHPSPR-UHFFFAOYSA-N
XLogP4.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159643
[6-(furan-2-ylmethylamino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109155308
[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 35875973
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159635
[2-(2-methylanilino)pyrimidin-5-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109261992
[6-(3-fluoroanilino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352947
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(3-methylanilino)-3-pyridinyl]methanone
CID 109237606
N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109155045
[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone
CID 109248684

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 109160392) is [6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(Nc2ccc(C(=O)N3CCN(c4cccc(C)c4)CC3)cn2)c1.
What is the InChIKey of [6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is UNGZKTFBTHPSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-5-3-7-21(15-18)26-23-10-9-20(17-25-23)24(29)28-13-11-27(12-14-28)22-8-4-6-19(2)16-22/h3-10,15-17H,11-14H2,1-2H3,(H,25,26).
What are the key properties of [6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109160392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).