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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Related Compounds

N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
N-methyl-2-[(3R)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 129488885
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 72862830
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133397673
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133362039
1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 103721831
N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133316798
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 155948642
2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
CID 133357626

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).