[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C21H21N5O — CID 56663555

IUPAC[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cnccn3)cn2)ccn1
InChIInChI=1S/C21H21N5O/c1-14-10-18(16-5-6-23-15(2)11-16)25-12-17(14)20-4-3-9-26(20)21(27)19-13-22-7-8-24-19/h5-8,10-13,20H,3-4,9H2,1-2H3
InChIKeyCASOIDDYMKIXSH-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.53
Rot. Bonds3

About [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 56663555) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID56663555
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cnccn3)cn2)ccn1
InChIInChI=1S/C21H21N5O/c1-14-10-18(16-5-6-23-15(2)11-16)25-12-17(14)20-4-3-9-26(20)21(27)19-13-22-7-8-24-19/h5-8,10-13,20H,3-4,9H2,1-2H3
InChIKeyCASOIDDYMKIXSH-UHFFFAOYSA-N
XLogP3.53
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 56666999
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110270767
[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117162
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124971823
[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95843599
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669963

Frequently Asked Questions

What is the IUPAC name of [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 56663555) is [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is Cc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cnccn3)cn2)ccn1.
What is the InChIKey of [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is CASOIDDYMKIXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-10-18(16-5-6-23-15(2)11-16)25-12-17(14)20-4-3-9-26(20)21(27)19-13-22-7-8-24-19/h5-8,10-13,20H,3-4,9H2,1-2H3.
What are the key properties of [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 359.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 56663555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).