1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide

C13H18N4O2 — CID 75508740

IUPAC1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)Nc1cnccn1
InChIInChI=1S/C13H18N4O2/c1-2-4-12(18)17-8-3-5-10(17)13(19)16-11-9-14-6-7-15-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,16,19)
InChIKeyWEUMQCBLXDRNAU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.21
Rot. Bonds4

About 1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide

1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 75508740) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID75508740
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)Nc1cnccn1
InChIInChI=1S/C13H18N4O2/c1-2-4-12(18)17-8-3-5-10(17)13(19)16-11-9-14-6-7-15-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,16,19)
InChIKeyWEUMQCBLXDRNAU-UHFFFAOYSA-N
XLogP1.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrazin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565870
(3S)-3,7-diamino-N-methyl-N-[6-oxo-2-(pyrazin-2-ylamino)-4,5-dihydro-1H-pyrimidin-5-yl]heptanamide;hydrobromide
CID 45261027
(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-pyrazin-2-ylpyrrolidine-1,2-dicarboxamide
CID 59908751
[(1R)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(pyrazin-2-ylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]butyl]boronic acid
CID 137634994
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-pyrazin-2-ylpiperidine-4-carboxamide
CID 45832953
N-cyclopentyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53612206
2-(Tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
CID 56824877
5,5-Dimethyl-3-pyrazin-2-ylimidazolidine-2,4-dione
CID 162655970
N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 43061940
N-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 91829764
N-[(2S)-3-methylbutan-2-yl]-2-[methyl(pyrazin-2-yl)amino]acetamide
CID 93613940
(2S)-N-(3-imidazol-1-ylpropyl)-1-propylpiperidine-2-carboxamide
CID 96549328

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 75508740) is 1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide is CCCC(=O)N1CCCC1C(=O)Nc1cnccn1.
What is the InChIKey of 1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is WEUMQCBLXDRNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-4-12(18)17-8-3-5-10(17)13(19)16-11-9-14-6-7-15-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,16,19).
What are the key properties of 1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75508740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).