N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

C17H21N5O — CID 125019829

IUPACN-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cncc([C@@H]2CCCN2c2cccc(C)n2)n1
InChIInChI=1S/C17H21N5O/c1-12-5-3-7-17(20-12)22-8-4-6-16(22)15-11-18-9-14(21-15)10-19-13(2)23/h3,5,7,9,11,16H,4,6,8,10H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyXYPSKXYTSHAKHF-INIZCTEOSA-N
MW311.39 g/mol
LogP2.16
Rot. Bonds4

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

N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 125019829) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID125019829
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cncc([C@@H]2CCCN2c2cccc(C)n2)n1
InChIInChI=1S/C17H21N5O/c1-12-5-3-7-17(20-12)22-8-4-6-16(22)15-11-18-9-14(21-15)10-19-13(2)23/h3,5,7,9,11,16H,4,6,8,10H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyXYPSKXYTSHAKHF-INIZCTEOSA-N
XLogP2.16
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110268251
N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094831
N-[[6-[(2R)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124959872
N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124970355
N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125009193
N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094914
N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125022837
N-[[6-[(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839567
N-[[6-[1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110112276
N-[[6-[(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125027050
N-[[6-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124946164
N-[[6-[(2R)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839584

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (CID 125019829) is N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cncc([C@@H]2CCCN2c2cccc(C)n2)n1.
What is the InChIKey of N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is XYPSKXYTSHAKHF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-5-3-7-17(20-12)22-8-4-6-16(22)15-11-18-9-14(21-15)10-19-13(2)23/h3,5,7,9,11,16H,4,6,8,10H2,1-2H3,(H,19,23)/t16-/m0/s1.
What are the key properties of N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 125019829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).