2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline

C21H27N5 — CID 175064037

IUPAC2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline
SMILESCNc1cnc(NC)c(N2CCCC2C)c1.c1ccc2ncccc2c1
InChIInChI=1S/C12H20N4.C9H7N/c1-9-5-4-6-16(9)11-7-10(13-2)8-15-12(11)14-3;1-2-6-9-8(4-1)5-3-7-10-9/h7-9,13H,4-6H2,1-3H3,(H,14,15);1-7H
InChIKeyHTFMHSWOENFMDK-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.39
Rot. Bonds3

About 2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline

2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline (PubChem CID 175064037) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline.

Molecular Properties

Compound Name2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline
PubChem CID175064037
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline
SMILESCNc1cnc(NC)c(N2CCCC2C)c1.c1ccc2ncccc2c1
InChIInChI=1S/C12H20N4.C9H7N/c1-9-5-4-6-16(9)11-7-10(13-2)8-15-12(11)14-3;1-2-6-9-8(4-1)5-3-7-10-9/h7-9,13H,4-6H2,1-3H3,(H,14,15);1-7H
InChIKeyHTFMHSWOENFMDK-UHFFFAOYSA-N
XLogP4.39
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline?
The IUPAC name of 2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline (CID 175064037) is 2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline.
What is the SMILES notation for 2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline?
The canonical SMILES for 2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline is CNc1cnc(NC)c(N2CCCC2C)c1.c1ccc2ncccc2c1.
What is the InChIKey of 2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline?
The InChIKey is HTFMHSWOENFMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.C9H7N/c1-9-5-4-6-16(9)11-7-10(13-2)8-15-12(11)14-3;1-2-6-9-8(4-1)5-3-7-10-9/h7-9,13H,4-6H2,1-3H3,(H,14,15);1-7H.
What are the key properties of 2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline?
2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline has a molecular weight of 349.48 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-dimethyl-3-(2-methylpyrrolidin-1-yl)pyridine-2,5-diamine;quinoline is sourced from PubChem (CID 175064037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).