N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide

C17H21N5O — CID 124953950

IUPACN-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc([C@H]2CCCN2Cc2cnccn2)nc1
InChIInChI=1S/C17H21N5O/c1-13(23)20-9-14-4-5-16(21-10-14)17-3-2-8-22(17)12-15-11-18-6-7-19-15/h4-7,10-11,17H,2-3,8-9,12H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyDYYJSVVBKIIUQT-QGZVFWFLSA-N
MW311.39 g/mol
LogP1.84
Rot. Bonds5

About N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide

N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 124953950) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
PubChem CID124953950
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc([C@H]2CCCN2Cc2cnccn2)nc1
InChIInChI=1S/C17H21N5O/c1-13(23)20-9-14-4-5-16(21-10-14)17-3-2-8-22(17)12-15-11-18-6-7-19-15/h4-7,10-11,17H,2-3,8-9,12H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyDYYJSVVBKIIUQT-QGZVFWFLSA-N
XLogP1.84
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124969790
N-[[6-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124946164
N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094722
N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094772
N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110107855
N-[[6-[1-(dimethylsulfamoyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094766
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124939627
N-[[6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094898
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110268351
N-[[6-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124996366
4-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124946594

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide (CID 124953950) is N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1ccc([C@H]2CCCN2Cc2cnccn2)nc1.
What is the InChIKey of N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is DYYJSVVBKIIUQT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13(23)20-9-14-4-5-16(21-10-14)17-3-2-8-22(17)12-15-11-18-6-7-19-15/h4-7,10-11,17H,2-3,8-9,12H2,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124953950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).