5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine

C14H23ClN4 — CID 63165745

IUPAC5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN2CCC(N(C)C)C2)n1
InChIInChI=1S/C14H23ClN4/c1-4-16-14-6-5-12(15)13(17-14)10-19-8-7-11(9-19)18(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,16,17)
InChIKeyVEXATHJHZVCOKO-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.30
Rot. Bonds5

About 5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine

5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine (PubChem CID 63165745) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine
PubChem CID63165745
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN2CCC(N(C)C)C2)n1
InChIInChI=1S/C14H23ClN4/c1-4-16-14-6-5-12(15)13(17-14)10-19-8-7-11(9-19)18(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,16,17)
InChIKeyVEXATHJHZVCOKO-UHFFFAOYSA-N
XLogP2.30
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine (CID 63165745) is 5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(CN2CCC(N(C)C)C2)n1.
What is the InChIKey of 5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine?
The InChIKey is VEXATHJHZVCOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-4-16-14-6-5-12(15)13(17-14)10-19-8-7-11(9-19)18(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine?
5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine has a molecular weight of 282.82 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 63165745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).