1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine

C15H25ClN4 — CID 63168757

IUPAC1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccc(Cl)c(CNC)n2)C1
InChIInChI=1S/C15H25ClN4/c1-4-19(5-2)12-8-9-20(11-12)15-7-6-13(16)14(18-15)10-17-3/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyNHCTZIRLXDRILN-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.37
Rot. Bonds6

About 1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine

1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63168757) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63168757
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccc(Cl)c(CNC)n2)C1
InChIInChI=1S/C15H25ClN4/c1-4-19(5-2)12-8-9-20(11-12)15-7-6-13(16)14(18-15)10-17-3/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyNHCTZIRLXDRILN-UHFFFAOYSA-N
XLogP2.37
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine (CID 63168757) is 1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2ccc(Cl)c(CNC)n2)C1.
What is the InChIKey of 1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is NHCTZIRLXDRILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-4-19(5-2)12-8-9-20(11-12)15-7-6-13(16)14(18-15)10-17-3/h6-7,12,17H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine?
1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 296.85 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63168757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).