N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine

C25H30N4O2 — CID 10319873

IUPACN-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
InChIInChI=1S/C25H30N4O2/c1-5-19-24(29-23-18-11-9-8-10-17(18)15-21(23)30-7-3)27-20(6-2)25(28-19)31-22-14-16(4)12-13-26-22/h8-14,21,23H,5-7,15H2,1-4H3,(H,27,29)/t21-,23+/m0/s1
InChIKeyZMRNNGNFCBYSLG-JTHBVZDNSA-N
MW418.54 g/mol
LogP5.21
Rot. Bonds8

About N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine

N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine (PubChem CID 10319873) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine
PubChem CID10319873
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
InChIInChI=1S/C25H30N4O2/c1-5-19-24(29-23-18-11-9-8-10-17(18)15-21(23)30-7-3)27-20(6-2)25(28-19)31-22-14-16(4)12-13-26-22/h8-14,21,23H,5-7,15H2,1-4H3,(H,27,29)/t21-,23+/m0/s1
InChIKeyZMRNNGNFCBYSLG-JTHBVZDNSA-N
XLogP5.21
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine?
The IUPAC name of N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine (CID 10319873) is N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine.
What is the SMILES notation for N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine?
The canonical SMILES for N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine is CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC.
What is the InChIKey of N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine?
The InChIKey is ZMRNNGNFCBYSLG-JTHBVZDNSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-5-19-24(29-23-18-11-9-8-10-17(18)15-21(23)30-7-3)27-20(6-2)25(28-19)31-22-14-16(4)12-13-26-22/h8-14,21,23H,5-7,15H2,1-4H3,(H,27,29)/t21-,23+/m0/s1.
What are the key properties of N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine?
N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine has a molecular weight of 418.54 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]pyrazin-2-amine is sourced from PubChem (CID 10319873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).