N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

C16H25N5O — CID 119902780

IUPACN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCN1CCN(c2ncccc2CNC(=O)C2CCNC2)CC1
InChIInChI=1S/C16H25N5O/c1-20-7-9-21(10-8-20)15-13(3-2-5-18-15)12-19-16(22)14-4-6-17-11-14/h2-3,5,14,17H,4,6-12H2,1H3,(H,19,22)
InChIKeyDEHRUJLNMYQJFT-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.06
Rot. Bonds4

About N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119902780) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119902780
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCN1CCN(c2ncccc2CNC(=O)C2CCNC2)CC1
InChIInChI=1S/C16H25N5O/c1-20-7-9-21(10-8-20)15-13(3-2-5-18-15)12-19-16(22)14-4-6-17-11-14/h2-3,5,14,17H,4,6-12H2,1H3,(H,19,22)
InChIKeyDEHRUJLNMYQJFT-UHFFFAOYSA-N
XLogP0.06
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119902772
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411
(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 95191447
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94816976
(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 56757836
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 119902780) is N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is CN1CCN(c2ncccc2CNC(=O)C2CCNC2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is DEHRUJLNMYQJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-20-7-9-21(10-8-20)15-13(3-2-5-18-15)12-19-16(22)14-4-6-17-11-14/h2-3,5,14,17H,4,6-12H2,1H3,(H,19,22).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.06, 4 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]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119902780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).