[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone

C21H28N4O — CID 109201209

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1ccnc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C21H28N4O/c1-4-9-22-18-8-10-23-19(15-18)21(26)25-13-11-24(12-14-25)20-7-5-6-16(2)17(20)3/h5-8,10,15H,4,9,11-14H2,1-3H3,(H,22,23)
InChIKeySQHVUYZLTMQDKD-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.48
Rot. Bonds5

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone (PubChem CID 109201209) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
PubChem CID109201209
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1ccnc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C21H28N4O/c1-4-9-22-18-8-10-23-19(15-18)21(26)25-13-11-24(12-14-25)20-7-5-6-16(2)17(20)3/h5-8,10,15H,4,9,11-14H2,1-3H3,(H,22,23)
InChIKeySQHVUYZLTMQDKD-UHFFFAOYSA-N
XLogP3.48
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079242
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
CID 109216089
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone
CID 109310419
[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
CID 109216019
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 62185374
[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205121
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109174427
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-(3-methylbutylamino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216294
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109165914

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone (CID 109201209) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone is CCCNc1ccnc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone?
The InChIKey is SQHVUYZLTMQDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-9-22-18-8-10-23-19(15-18)21(26)25-13-11-24(12-14-25)20-7-5-6-16(2)17(20)3/h5-8,10,15H,4,9,11-14H2,1-3H3,(H,22,23).
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone has a molecular weight of 352.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109201209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).