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

C19H28N6 — CID 46230025

IUPACN,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
SMILESCCN(CC)c1ncc(-c2ccncc2)nc1N1CCCN(C)CC1
InChIInChI=1S/C19H28N6/c1-4-24(5-2)18-19(25-12-6-11-23(3)13-14-25)22-17(15-21-18)16-7-9-20-10-8-16/h7-10,15H,4-6,11-14H2,1-3H3
InChIKeyAQRAVDVDFJHENA-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.53
Rot. Bonds5

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

N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine (PubChem CID 46230025) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
PubChem CID46230025
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC NameN,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
SMILESCCN(CC)c1ncc(-c2ccncc2)nc1N1CCCN(C)CC1
InChIInChI=1S/C19H28N6/c1-4-24(5-2)18-19(25-12-6-11-23(3)13-14-25)22-17(15-21-18)16-7-9-20-10-8-16/h7-10,15H,4-6,11-14H2,1-3H3
InChIKeyAQRAVDVDFJHENA-UHFFFAOYSA-N
XLogP2.53
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The IUPAC name of N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine (CID 46230025) is N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine.
What is the SMILES notation for N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The canonical SMILES for N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine is CCN(CC)c1ncc(-c2ccncc2)nc1N1CCCN(C)CC1.
What is the InChIKey of N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The InChIKey is AQRAVDVDFJHENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-4-24(5-2)18-19(25-12-6-11-23(3)13-14-25)22-17(15-21-18)16-7-9-20-10-8-16/h7-10,15H,4-6,11-14H2,1-3H3.
What are the key properties of N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine has a molecular weight of 340.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine is sourced from PubChem (CID 46230025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).