[3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone

C17H20N4O — CID 167886981

IUPAC[3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
SMILESCc1nccnc1C(=O)N1CCC(N(C)c2ccccc2)C1
InChIInChI=1S/C17H20N4O/c1-13-16(19-10-9-18-13)17(22)21-11-8-15(12-21)20(2)14-6-4-3-5-7-14/h3-7,9-10,15H,8,11-12H2,1-2H3
InChIKeyPAUTYADKNCLPOZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.14
Rot. Bonds3

About [3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone

[3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone (PubChem CID 167886981) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
PubChem CID167886981
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
SMILESCc1nccnc1C(=O)N1CCC(N(C)c2ccccc2)C1
InChIInChI=1S/C17H20N4O/c1-13-16(19-10-9-18-13)17(22)21-11-8-15(12-21)20(2)14-6-4-3-5-7-14/h3-7,9-10,15H,8,11-12H2,1-2H3
InChIKeyPAUTYADKNCLPOZ-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 71979487
[3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone
CID 70313001
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
[4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 146127136
3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one
CID 136554107
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 104742285
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 136553102
N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide
CID 23139887
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938
2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine
CID 118769440

Frequently Asked Questions

What is the IUPAC name of [3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone (CID 167886981) is [3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone is Cc1nccnc1C(=O)N1CCC(N(C)c2ccccc2)C1.
What is the InChIKey of [3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
The InChIKey is PAUTYADKNCLPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-16(19-10-9-18-13)17(22)21-11-8-15(12-21)20(2)14-6-4-3-5-7-14/h3-7,9-10,15H,8,11-12H2,1-2H3.
What are the key properties of [3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
[3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 167886981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).