2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide

C17H27N5O — CID 133320439

IUPAC2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCCN1CCN(C2CCN(c3ncccc3C(=O)NC)C2)CC1
InChIInChI=1S/C17H27N5O/c1-3-20-9-11-21(12-10-20)14-6-8-22(13-14)16-15(17(23)18-2)5-4-7-19-16/h4-5,7,14H,3,6,8-13H2,1-2H3,(H,18,23)
InChIKeyBTFPCJNYPVLXOD-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.66
Rot. Bonds4

About 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide

2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 133320439) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID133320439
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCCN1CCN(C2CCN(c3ncccc3C(=O)NC)C2)CC1
InChIInChI=1S/C17H27N5O/c1-3-20-9-11-21(12-10-20)14-6-8-22(13-14)16-15(17(23)18-2)5-4-7-19-16/h4-5,7,14H,3,6,8-13H2,1-2H3,(H,18,23)
InChIKeyBTFPCJNYPVLXOD-UHFFFAOYSA-N
XLogP0.66
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide (CID 133320439) is 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide is CCN1CCN(C2CCN(c3ncccc3C(=O)NC)C2)CC1.
What is the InChIKey of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is BTFPCJNYPVLXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-3-20-9-11-21(12-10-20)14-6-8-22(13-14)16-15(17(23)18-2)5-4-7-19-16/h4-5,7,14H,3,6,8-13H2,1-2H3,(H,18,23).
What are the key properties of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133320439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).