N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine

C17H23N5 — CID 110116694

IUPACN,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine
SMILESCN(C)Cc1cncc(C2CCCN2Cc2ccncc2)n1
InChIInChI=1S/C17H23N5/c1-21(2)13-15-10-19-11-16(20-15)17-4-3-9-22(17)12-14-5-7-18-8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3
InChIKeyHUNMIEVAUBRWBG-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.27
Rot. Bonds5

About N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine

N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine (PubChem CID 110116694) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine
PubChem CID110116694
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine
SMILESCN(C)Cc1cncc(C2CCCN2Cc2ccncc2)n1
InChIInChI=1S/C17H23N5/c1-21(2)13-15-10-19-11-16(20-15)17-4-3-9-22(17)12-14-5-7-18-8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3
InChIKeyHUNMIEVAUBRWBG-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine
CID 110116680
1-[6-[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-N,N-dimethylmethanamine
CID 124977315
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110256256
N,N,2-trimethyl-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyridin-4-amine
CID 110256927
(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 124977694
[(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124947110
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 124940231
N-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125003062
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyrazine
CID 110267837
1-[2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110117305

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine (CID 110116694) is N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine is CN(C)Cc1cncc(C2CCCN2Cc2ccncc2)n1.
What is the InChIKey of N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine?
The InChIKey is HUNMIEVAUBRWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-21(2)13-15-10-19-11-16(20-15)17-4-3-9-22(17)12-14-5-7-18-8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine?
N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine has a molecular weight of 297.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 110116694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).