5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine

C16H25ClN4 — CID 63010267

IUPAC5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C16H25ClN4/c17-14-3-4-16(18)19-15(14)12-21-9-5-13(6-10-21)11-20-7-1-2-8-20/h3-4,13H,1-2,5-12H2,(H2,18,19)
InChIKeyZXGSCKPDNVRZOY-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.62
Rot. Bonds4

About 5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine

5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 63010267) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID63010267
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C16H25ClN4/c17-14-3-4-16(18)19-15(14)12-21-9-5-13(6-10-21)11-20-7-1-2-8-20/h3-4,13H,1-2,5-12H2,(H2,18,19)
InChIKeyZXGSCKPDNVRZOY-UHFFFAOYSA-N
XLogP2.62
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine (CID 63010267) is 5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine is Nc1ccc(Cl)c(CN2CCC(CN3CCCC3)CC2)n1.
What is the InChIKey of 5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is ZXGSCKPDNVRZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c17-14-3-4-16(18)19-15(14)12-21-9-5-13(6-10-21)11-20-7-1-2-8-20/h3-4,13H,1-2,5-12H2,(H2,18,19).
What are the key properties of 5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine?
5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 308.86 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 63010267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).