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

C17H24N6 — CID 46230024

IUPACN,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2N(C)C)CC1
InChIInChI=1S/C17H24N6/c1-21(2)16-17(23-10-4-9-22(3)11-12-23)20-15(13-19-16)14-5-7-18-8-6-14/h5-8,13H,4,9-12H2,1-3H3
InChIKeyQFNOZIPFBRWECY-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.75
Rot. Bonds3

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

N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine (PubChem CID 46230024) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
PubChem CID46230024
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2N(C)C)CC1
InChIInChI=1S/C17H24N6/c1-21(2)16-17(23-10-4-9-22(3)11-12-23)20-15(13-19-16)14-5-7-18-8-6-14/h5-8,13H,4,9-12H2,1-3H3
InChIKeyQFNOZIPFBRWECY-UHFFFAOYSA-N
XLogP1.75
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The IUPAC name of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine (CID 46230024) is N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine is CN1CCCN(c2nc(-c3ccncc3)cnc2N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The InChIKey is QFNOZIPFBRWECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-21(2)16-17(23-10-4-9-22(3)11-12-23)20-15(13-19-16)14-5-7-18-8-6-14/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine is sourced from PubChem (CID 46230024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).