1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C16H19N5O — CID 110257285

IUPAC1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nccnc1NCc1cccnc1
InChIInChI=1S/C16H19N5O/c1-12(22)21-9-3-5-14(21)15-16(19-8-7-18-15)20-11-13-4-2-6-17-10-13/h2,4,6-8,10,14H,3,5,9,11H2,1H3,(H,19,20)
InChIKeyDYXOFVYIUUFTME-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110257285) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110257285
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nccnc1NCc1cccnc1
InChIInChI=1S/C16H19N5O/c1-12(22)21-9-3-5-14(21)15-16(19-8-7-18-15)20-11-13-4-2-6-17-10-13/h2,4,6-8,10,14H,3,5,9,11H2,1H3,(H,19,20)
InChIKeyDYXOFVYIUUFTME-UHFFFAOYSA-N
XLogP2.17
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-((2-((2-((2S)-2-Cyano-1-pyrrolidinyl)-2-oxoethyl)amino)ethyl)amino)-3-pyridinecarbonitrile
CID 9796290
Pimefyllin
CID 65597
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18d
CID 5329354
2,4-Disubstituted Pyrimidine 3d
CID 5329429
Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]-
CID 5330281
Pyrido-[2,3-d]-pyrimidin-7-one 56
CID 5330299
3-(1-(cyclohexyl(methyl)carbamoyl)-1H-imidazol-4-yl)pyridine 1-oxide
CID 46831476
2-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89740936
N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}-3-(Pyridin-3-Yl)propan-1-Amine
CID 118656419
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 110257285) is 1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nccnc1NCc1cccnc1.
What is the InChIKey of 1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is DYXOFVYIUUFTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(22)21-9-3-5-14(21)15-16(19-8-7-18-15)20-11-13-4-2-6-17-10-13/h2,4,6-8,10,14H,3,5,9,11H2,1H3,(H,19,20).
What are the key properties of 1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 297.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110257285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).