1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine

C21H28N4O — CID 67064892

IUPAC1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
SMILESCOc1cccc(-c2ccc(C3CC3NCCN3CCC(N)C3)cn2)c1
InChIInChI=1S/C21H28N4O/c1-26-18-4-2-3-15(11-18)20-6-5-16(13-24-20)19-12-21(19)23-8-10-25-9-7-17(22)14-25/h2-6,11,13,17,19,21,23H,7-10,12,14,22H2,1H3
InChIKeyNAHDAZSNDUPYRR-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.24
Rot. Bonds7

About 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine

1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine (PubChem CID 67064892) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
PubChem CID67064892
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
SMILESCOc1cccc(-c2ccc(C3CC3NCCN3CCC(N)C3)cn2)c1
InChIInChI=1S/C21H28N4O/c1-26-18-4-2-3-15(11-18)20-6-5-16(13-24-20)19-12-21(19)23-8-10-25-9-7-17(22)14-25/h2-6,11,13,17,19,21,23H,7-10,12,14,22H2,1H3
InChIKeyNAHDAZSNDUPYRR-UHFFFAOYSA-N
XLogP2.24
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine (CID 67064892) is 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine is COc1cccc(-c2ccc(C3CC3NCCN3CCC(N)C3)cn2)c1.
What is the InChIKey of 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The InChIKey is NAHDAZSNDUPYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-26-18-4-2-3-15(11-18)20-6-5-16(13-24-20)19-12-21(19)23-8-10-25-9-7-17(22)14-25/h2-6,11,13,17,19,21,23H,7-10,12,14,22H2,1H3.
What are the key properties of 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine has a molecular weight of 352.48 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 67064892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).