N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine

C16H27N5 — CID 103056396

IUPACN-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine
SMILESCCNc1cnc(CN2CCC(N3CCCCC3)C2)cn1
InChIInChI=1S/C16H27N5/c1-2-17-16-11-18-14(10-19-16)12-20-9-6-15(13-20)21-7-4-3-5-8-21/h10-11,15H,2-9,12-13H2,1H3,(H,17,19)
InChIKeyOKNPALPRDPGUKL-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.97
Rot. Bonds5

About N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine

N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine (PubChem CID 103056396) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine
PubChem CID103056396
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine
SMILESCCNc1cnc(CN2CCC(N3CCCCC3)C2)cn1
InChIInChI=1S/C16H27N5/c1-2-17-16-11-18-14(10-19-16)12-20-9-6-15(13-20)21-7-4-3-5-8-21/h10-11,15H,2-9,12-13H2,1H3,(H,17,19)
InChIKeyOKNPALPRDPGUKL-UHFFFAOYSA-N
XLogP1.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056836
N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazin-2-amine
CID 103056665
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
CID 103056712
2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 103056925
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103056765
N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056522
7-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103056617
N-ethyl-5-[(3-propoxypiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056216
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056506
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103056725
N-ethyl-5-[(2-methylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103055350

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine (CID 103056396) is N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine is CCNc1cnc(CN2CCC(N3CCCCC3)C2)cn1.
What is the InChIKey of N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine?
The InChIKey is OKNPALPRDPGUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-2-17-16-11-18-14(10-19-16)12-20-9-6-15(13-20)21-7-4-3-5-8-21/h10-11,15H,2-9,12-13H2,1H3,(H,17,19).
What are the key properties of N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine?
N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine has a molecular weight of 289.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 103056396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).