N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine

C26H34N6O2 — CID 72753389

IUPACN-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine
SMILESCCOC1CN(c2ccccn2)CC1Nc1nc(CC)c(-c2ccc(OC)nc2C)nc1CC
InChIInChI=1S/C26H34N6O2/c1-6-19-25(18-12-13-24(33-5)28-17(18)4)29-20(7-2)26(30-19)31-21-15-32(16-22(21)34-8-3)23-11-9-10-14-27-23/h9-14,21-22H,6-8,15-16H2,1-5H3,(H,30,31)
InChIKeyYAHPFEFMOUCZNW-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.08
Rot. Bonds9

About N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine

N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine (PubChem CID 72753389) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine
PubChem CID72753389
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC NameN-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine
SMILESCCOC1CN(c2ccccn2)CC1Nc1nc(CC)c(-c2ccc(OC)nc2C)nc1CC
InChIInChI=1S/C26H34N6O2/c1-6-19-25(18-12-13-24(33-5)28-17(18)4)29-20(7-2)26(30-19)31-21-15-32(16-22(21)34-8-3)23-11-9-10-14-27-23/h9-14,21-22H,6-8,15-16H2,1-5H3,(H,30,31)
InChIKeyYAHPFEFMOUCZNW-UHFFFAOYSA-N
XLogP4.08
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine?
The IUPAC name of N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine (CID 72753389) is N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine.
What is the SMILES notation for N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine?
The canonical SMILES for N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine is CCOC1CN(c2ccccn2)CC1Nc1nc(CC)c(-c2ccc(OC)nc2C)nc1CC.
What is the InChIKey of N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine?
The InChIKey is YAHPFEFMOUCZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-6-19-25(18-12-13-24(33-5)28-17(18)4)29-20(7-2)26(30-19)31-21-15-32(16-22(21)34-8-3)23-11-9-10-14-27-23/h9-14,21-22H,6-8,15-16H2,1-5H3,(H,30,31).
What are the key properties of N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine?
N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine has a molecular weight of 462.60 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl)-3,6-diethyl-5-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-amine is sourced from PubChem (CID 72753389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).