N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine

C17H21N3 — CID 62285538

IUPACN-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
SMILESCNCc1cccc(N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C17H21N3/c1-18-12-16-8-5-9-17(19-16)20-11-10-15(13-20)14-6-3-2-4-7-14/h2-9,15,18H,10-13H2,1H3
InChIKeyFSGRKHBMLCFMFW-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.79
Rot. Bonds4

About N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine

N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine (PubChem CID 62285538) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
PubChem CID62285538
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
SMILESCNCc1cccc(N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C17H21N3/c1-18-12-16-8-5-9-17(19-16)20-11-10-15(13-20)14-6-3-2-4-7-14/h2-9,15,18H,10-13H2,1H3
InChIKeyFSGRKHBMLCFMFW-UHFFFAOYSA-N
XLogP2.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine (CID 62285538) is N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine is CNCc1cccc(N2CCC(c3ccccc3)C2)n1.
What is the InChIKey of N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is FSGRKHBMLCFMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-18-12-16-8-5-9-17(19-16)20-11-10-15(13-20)14-6-3-2-4-7-14/h2-9,15,18H,10-13H2,1H3.
What are the key properties of N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62285538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).