[6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C20H26N6O — CID 134707525

IUPAC[6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(NC2CCN(Cc3cccnc3)CC2)n1)N1CCCC1
InChIInChI=1S/C20H26N6O/c27-20(26-8-1-2-9-26)18-13-22-14-19(24-18)23-17-5-10-25(11-6-17)15-16-4-3-7-21-12-16/h3-4,7,12-14,17H,1-2,5-6,8-11,15H2,(H,23,24)
InChIKeyYYOZBKYDNMEKTD-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.18
Rot. Bonds5

About [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134707525) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134707525
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name[6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(NC2CCN(Cc3cccnc3)CC2)n1)N1CCCC1
InChIInChI=1S/C20H26N6O/c27-20(26-8-1-2-9-26)18-13-22-14-19(24-18)23-17-5-10-25(11-6-17)15-16-4-3-7-21-12-16/h3-4,7,12-14,17H,1-2,5-6,8-11,15H2,(H,23,24)
InChIKeyYYOZBKYDNMEKTD-UHFFFAOYSA-N
XLogP2.18
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid
CID 135092980
1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
[6-[(2-methyl-1-pyridin-3-ylpropyl)amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134711585

Frequently Asked Questions

What is the IUPAC name of [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 134707525) is [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(NC2CCN(Cc3cccnc3)CC2)n1)N1CCCC1.
What is the InChIKey of [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YYOZBKYDNMEKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-20(26-8-1-2-9-26)18-13-22-14-19(24-18)23-17-5-10-25(11-6-17)15-16-4-3-7-21-12-16/h3-4,7,12-14,17H,1-2,5-6,8-11,15H2,(H,23,24).
What are the key properties of [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 366.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134707525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).