N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine

C19H28N6O — CID 46230078

IUPACN-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
SMILESCOCCN(C)c1ncc(-c2ccncc2)nc1N1CCCN(C)CC1
InChIInChI=1S/C19H28N6O/c1-23-9-4-10-25(12-11-23)19-18(24(2)13-14-26-3)21-15-17(22-19)16-5-7-20-8-6-16/h5-8,15H,4,9-14H2,1-3H3
InChIKeyIXPHAKRKIKXIRR-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.76
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine

N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine (PubChem CID 46230078) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
PubChem CID46230078
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
SMILESCOCCN(C)c1ncc(-c2ccncc2)nc1N1CCCN(C)CC1
InChIInChI=1S/C19H28N6O/c1-23-9-4-10-25(12-11-23)19-18(24(2)13-14-26-3)21-15-17(22-19)16-5-7-20-8-6-16/h5-8,15H,4,9-14H2,1-3H3
InChIKeyIXPHAKRKIKXIRR-UHFFFAOYSA-N
XLogP1.76
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine (CID 46230078) is N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine is COCCN(C)c1ncc(-c2ccncc2)nc1N1CCCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The InChIKey is IXPHAKRKIKXIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23-9-4-10-25(12-11-23)19-18(24(2)13-14-26-3)21-15-17(22-19)16-5-7-20-8-6-16/h5-8,15H,4,9-14H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine has a molecular weight of 356.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine is sourced from PubChem (CID 46230078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).