N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide

C17H27N5O — CID 119902772

IUPACN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESCN1CCN(c2ncccc2CNC(=O)CC2CCCN2)CC1
InChIInChI=1S/C17H27N5O/c1-21-8-10-22(11-9-21)17-14(4-2-7-19-17)13-20-16(23)12-15-5-3-6-18-15/h2,4,7,15,18H,3,5-6,8-13H2,1H3,(H,20,23)
InChIKeyDIHQRHNLIQSQOA-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.59
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide

N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119902772) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119902772
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESCN1CCN(c2ncccc2CNC(=O)CC2CCCN2)CC1
InChIInChI=1S/C17H27N5O/c1-21-8-10-22(11-9-21)17-14(4-2-7-19-17)13-20-16(23)12-15-5-3-6-18-15/h2,4,7,15,18H,3,5-6,8-13H2,1H3,(H,20,23)
InChIKeyDIHQRHNLIQSQOA-UHFFFAOYSA-N
XLogP0.59
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94816976
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119902780
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119898701
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119847157
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869680
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119892797
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
N-(2-morpholin-4-yl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 119845865
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide (CID 119902772) is N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide is CN1CCN(c2ncccc2CNC(=O)CC2CCCN2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is DIHQRHNLIQSQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-21-8-10-22(11-9-21)17-14(4-2-7-19-17)13-20-16(23)12-15-5-3-6-18-15/h2,4,7,15,18H,3,5-6,8-13H2,1H3,(H,20,23).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide?
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 317.44 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119902772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).