2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide

C20H26N4O — CID 113029352

IUPAC2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)C(C)C)nc3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-15(2)20(25)22-19-8-7-18(14-21-19)24-11-9-23(10-12-24)17-6-4-5-16(3)13-17/h4-8,13-15H,9-12H2,1-3H3,(H,21,22,25)
InChIKeyXPHYICRKNGDMPR-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.31
Rot. Bonds4

About 2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide

2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide (PubChem CID 113029352) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
PubChem CID113029352
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)C(C)C)nc3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-15(2)20(25)22-19-8-7-18(14-21-19)24-11-9-23(10-12-24)17-6-4-5-16(3)13-17/h4-8,13-15H,9-12H2,1-3H3,(H,21,22,25)
InChIKeyXPHYICRKNGDMPR-UHFFFAOYSA-N
XLogP3.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029367
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809238
(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 113029443
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide
CID 113043643
[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109160392
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
2-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)butanamide
CID 113024566
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179502

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide (CID 113029352) is 2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide is Cc1cccc(N2CCN(c3ccc(NC(=O)C(C)C)nc3)CC2)c1.
What is the InChIKey of 2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide?
The InChIKey is XPHYICRKNGDMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)20(25)22-19-8-7-18(14-21-19)24-11-9-23(10-12-24)17-6-4-5-16(3)13-17/h4-8,13-15H,9-12H2,1-3H3,(H,21,22,25).
What are the key properties of 2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide?
2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 113029352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).