2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine

C16H20N4O2 — CID 99802324

IUPAC2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine
SMILESCCOc1cncc(N2CC[C@H](OCc3ccncc3)C2)n1
InChIInChI=1S/C16H20N4O2/c1-2-21-16-10-18-9-15(19-16)20-8-5-14(11-20)22-12-13-3-6-17-7-4-13/h3-4,6-7,9-10,14H,2,5,8,11-12H2,1H3/t14-/m0/s1
InChIKeyKGVYKAOUWYAVME-AWEZNQCLSA-N
MW300.36 g/mol
LogP2.07
Rot. Bonds6

About 2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine

2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine (PubChem CID 99802324) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine
PubChem CID99802324
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine
SMILESCCOc1cncc(N2CC[C@H](OCc3ccncc3)C2)n1
InChIInChI=1S/C16H20N4O2/c1-2-21-16-10-18-9-15(19-16)20-8-5-14(11-20)22-12-13-3-6-17-7-4-13/h3-4,6-7,9-10,14H,2,5,8,11-12H2,1H3/t14-/m0/s1
InChIKeyKGVYKAOUWYAVME-AWEZNQCLSA-N
XLogP2.07
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-6-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine
CID 102563969
2-[1-(6-ethoxypyrazin-2-yl)piperidin-4-yl]oxyethanamine
CID 82693310
2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine
CID 102960945
2-[(3R)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethoxy)pyridine
CID 99837649
2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine
CID 80674111
2-ethoxy-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453179
N-(cyclopropylmethyl)-1-(6-ethoxypyrazin-2-yl)piperidin-4-amine
CID 115307461
2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 97047985
2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine
CID 71857386
2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine
CID 75378157
6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 154800261
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine (CID 99802324) is 2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine is CCOc1cncc(N2CC[C@H](OCc3ccncc3)C2)n1.
What is the InChIKey of 2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine?
The InChIKey is KGVYKAOUWYAVME-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-21-16-10-18-9-15(19-16)20-8-5-14(11-20)22-12-13-3-6-17-7-4-13/h3-4,6-7,9-10,14H,2,5,8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine?
2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine has a molecular weight of 300.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 99802324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).