5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine

C16H27ClN4 — CID 79309758

IUPAC5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN(C)CC2CCCN2C)n1
InChIInChI=1S/C16H27ClN4/c1-4-9-18-16-8-7-14(17)15(19-16)12-20(2)11-13-6-5-10-21(13)3/h7-8,13H,4-6,9-12H2,1-3H3,(H,18,19)
InChIKeyKQFDPCFTOXTVLA-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.08
Rot. Bonds7

About 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine

5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine (PubChem CID 79309758) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
PubChem CID79309758
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN(C)CC2CCCN2C)n1
InChIInChI=1S/C16H27ClN4/c1-4-9-18-16-8-7-14(17)15(19-16)12-20(2)11-13-6-5-10-21(13)3/h7-8,13H,4-6,9-12H2,1-3H3,(H,18,19)
InChIKeyKQFDPCFTOXTVLA-UHFFFAOYSA-N
XLogP3.08
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine (CID 79309758) is 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CN(C)CC2CCCN2C)n1.
What is the InChIKey of 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is KQFDPCFTOXTVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-4-9-18-16-8-7-14(17)15(19-16)12-20(2)11-13-6-5-10-21(13)3/h7-8,13H,4-6,9-12H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine?
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 310.87 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79309758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).