1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine

C20H25ClN4 — CID 67064903

IUPAC1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCN[C@@H]2C[C@H]2c2ccc(-c3ccc(Cl)cc3)nc2)C1
InChIInChI=1S/C20H25ClN4/c21-16-4-1-14(2-5-16)19-6-3-15(12-24-19)18-11-20(18)23-8-10-25-9-7-17(22)13-25/h1-6,12,17-18,20,23H,7-11,13,22H2/t17?,18-,20+/m0/s1
InChIKeyATZFUODKLCRKOF-AQCCAAQSSA-N
MW356.90 g/mol
LogP2.88
Rot. Bonds6

About 1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine

1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine (PubChem CID 67064903) has the molecular formula C20H25ClN4 and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
PubChem CID67064903
Molecular FormulaC20H25ClN4
Molecular Weight356.90 g/mol
Exact Mass356.18
IUPAC Name1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCN[C@@H]2C[C@H]2c2ccc(-c3ccc(Cl)cc3)nc2)C1
InChIInChI=1S/C20H25ClN4/c21-16-4-1-14(2-5-16)19-6-3-15(12-24-19)18-11-20(18)23-8-10-25-9-7-17(22)13-25/h1-6,12,17-18,20,23H,7-11,13,22H2/t17?,18-,20+/m0/s1
InChIKeyATZFUODKLCRKOF-AQCCAAQSSA-N
XLogP2.88
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-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-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine (CID 67064903) is 1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine is NC1CCN(CCN[C@@H]2C[C@H]2c2ccc(-c3ccc(Cl)cc3)nc2)C1.
What is the InChIKey of 1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The InChIKey is ATZFUODKLCRKOF-AQCCAAQSSA-N. The full InChI is InChI=1S/C20H25ClN4/c21-16-4-1-14(2-5-16)19-6-3-15(12-24-19)18-11-20(18)23-8-10-25-9-7-17(22)13-25/h1-6,12,17-18,20,23H,7-11,13,22H2/t17?,18-,20+/m0/s1.
What are the key properties of 1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine has a molecular weight of 356.90 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 67064903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).