[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C12H18N4O — CID 63264092

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCNCC1CCN(C(=O)c2cnc(C)cn2)C1
InChIInChI=1S/C12H18N4O/c1-9-5-15-11(7-14-9)12(17)16-4-3-10(8-16)6-13-2/h5,7,10,13H,3-4,6,8H2,1-2H3
InChIKeyZYXJSACVMWTACU-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.47
Rot. Bonds3

About [3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 63264092) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID63264092
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCNCC1CCN(C(=O)c2cnc(C)cn2)C1
InChIInChI=1S/C12H18N4O/c1-9-5-15-11(7-14-9)12(17)16-4-3-10(8-16)6-13-2/h5,7,10,13H,3-4,6,8H2,1-2H3
InChIKeyZYXJSACVMWTACU-UHFFFAOYSA-N
XLogP0.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
(5-bromo-2-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540200
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 81478651
2-[(4S)-1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 129489418
2-[1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 120950013
[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110113209
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
CID 119541937
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
(6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide
CID 124945127

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 63264092) is [3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is CNCC1CCN(C(=O)c2cnc(C)cn2)C1.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is ZYXJSACVMWTACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-5-15-11(7-14-9)12(17)16-4-3-10(8-16)6-13-2/h5,7,10,13H,3-4,6,8H2,1-2H3.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 63264092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).