1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine

C16H25ClN4 — CID 63169284

IUPAC1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(N2CCC(N3CCCCC3)C2)ccc1Cl
InChIInChI=1S/C16H25ClN4/c1-18-11-15-14(17)5-6-16(19-15)21-10-7-13(12-21)20-8-3-2-4-9-20/h5-6,13,18H,2-4,7-12H2,1H3
InChIKeyQIKYMMHCGUXYDL-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.52
Rot. Bonds4

About 1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine (PubChem CID 63169284) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
PubChem CID63169284
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(N2CCC(N3CCCCC3)C2)ccc1Cl
InChIInChI=1S/C16H25ClN4/c1-18-11-15-14(17)5-6-16(19-15)21-10-7-13(12-21)20-8-3-2-4-9-20/h5-6,13,18H,2-4,7-12H2,1H3
InChIKeyQIKYMMHCGUXYDL-UHFFFAOYSA-N
XLogP2.52
TPSA31.40 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine (CID 63169284) is 1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine is CNCc1nc(N2CCC(N3CCCCC3)C2)ccc1Cl.
What is the InChIKey of 1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is QIKYMMHCGUXYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-18-11-15-14(17)5-6-16(19-15)21-10-7-13(12-21)20-8-3-2-4-9-20/h5-6,13,18H,2-4,7-12H2,1H3.
What are the key properties of 1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 308.86 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 63169284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).