3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide

C21H28N4O — CID 55742598

IUPAC3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
SMILESCc1cccc(CCC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1
InChIInChI=1S/C21H28N4O/c1-17-4-3-5-18(14-17)6-7-21(26)23-16-19-8-9-22-20(15-19)25-12-10-24(2)11-13-25/h3-5,8-9,14-15H,6-7,10-13,16H2,1-2H3,(H,23,26)
InChIKeyNSCAOWQEPVVQIZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.39
Rot. Bonds6

About 3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide

3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide (PubChem CID 55742598) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
PubChem CID55742598
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
SMILESCc1cccc(CCC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1
InChIInChI=1S/C21H28N4O/c1-17-4-3-5-18(14-17)6-7-21(26)23-16-19-8-9-22-20(15-19)25-12-10-24(2)11-13-25/h3-5,8-9,14-15H,6-7,10-13,16H2,1-2H3,(H,23,26)
InChIKeyNSCAOWQEPVVQIZ-UHFFFAOYSA-N
XLogP2.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 86945172
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55820094
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide
CID 55911750
5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 47925567
1-[2-(3-methylphenoxy)ethyl]-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 47040157
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide (CID 55742598) is 3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide is Cc1cccc(CCC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
The InChIKey is NSCAOWQEPVVQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-4-3-5-18(14-17)6-7-21(26)23-16-19-8-9-22-20(15-19)25-12-10-24(2)11-13-25/h3-5,8-9,14-15H,6-7,10-13,16H2,1-2H3,(H,23,26).
What are the key properties of 3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55742598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).