N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide

C19H24N4O — CID 164930531

IUPACN-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
SMILESCN1CCN(C(C(=O)NCc2ccccc2)c2cccnc2)CC1
InChIInChI=1S/C19H24N4O/c1-22-10-12-23(13-11-22)18(17-8-5-9-20-15-17)19(24)21-14-16-6-3-2-4-7-16/h2-9,15,18H,10-14H2,1H3,(H,21,24)
InChIKeyZRVGMJDBVDKXMX-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.69
Rot. Bonds5

About N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide

N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide (PubChem CID 164930531) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
PubChem CID164930531
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
SMILESCN1CCN(C(C(=O)NCc2ccccc2)c2cccnc2)CC1
InChIInChI=1S/C19H24N4O/c1-22-10-12-23(13-11-22)18(17-8-5-9-20-15-17)19(24)21-14-16-6-3-2-4-7-16/h2-9,15,18H,10-14H2,1H3,(H,21,24)
InChIKeyZRVGMJDBVDKXMX-UHFFFAOYSA-N
XLogP1.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazin-1-yl)-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 167684149
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 177383040
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
CID 72885948
(2R)-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 97207664
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97198876
2-morpholin-4-yl-N-[(1-phenyltetrazol-5-yl)methyl]-2-pyridin-3-ylacetamide
CID 72904137
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
(2S)-N-benzyl-2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 100657682
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide (CID 164930531) is N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide is CN1CCN(C(C(=O)NCc2ccccc2)c2cccnc2)CC1.
What is the InChIKey of N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The InChIKey is ZRVGMJDBVDKXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-10-12-23(13-11-22)18(17-8-5-9-20-15-17)19(24)21-14-16-6-3-2-4-7-16/h2-9,15,18H,10-14H2,1H3,(H,21,24).
What are the key properties of N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide has a molecular weight of 324.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 164930531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).