N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide

C22H30N4O2 — CID 133120656

IUPACN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide
SMILESCO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cccc(NCc2ccccn2)c1C
InChIInChI=1S/C22H30N4O2/c1-15(2)26-13-20(21(14-26)28-4)25-22(27)18-9-7-10-19(16(18)3)24-12-17-8-5-6-11-23-17/h5-11,15,20-21,24H,12-14H2,1-4H3,(H,25,27)/t20-,21-/m1/s1
InChIKeyQGRZJNFUURGKPR-NHCUHLMSSA-N
MW382.51 g/mol
LogP2.84
Rot. Bonds7

About N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide

N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide (PubChem CID 133120656) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide
PubChem CID133120656
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide
SMILESCO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cccc(NCc2ccccn2)c1C
InChIInChI=1S/C22H30N4O2/c1-15(2)26-13-20(21(14-26)28-4)25-22(27)18-9-7-10-19(16(18)3)24-12-17-8-5-6-11-23-17/h5-11,15,20-21,24H,12-14H2,1-4H3,(H,25,27)/t20-,21-/m1/s1
InChIKeyQGRZJNFUURGKPR-NHCUHLMSSA-N
XLogP2.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide 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 N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide?
The IUPAC name of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide (CID 133120656) is N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide?
The canonical SMILES for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide is CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cccc(NCc2ccccn2)c1C.
What is the InChIKey of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide?
The InChIKey is QGRZJNFUURGKPR-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(2)26-13-20(21(14-26)28-4)25-22(27)18-9-7-10-19(16(18)3)24-12-17-8-5-6-11-23-17/h5-11,15,20-21,24H,12-14H2,1-4H3,(H,25,27)/t20-,21-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide?
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide is sourced from PubChem (CID 133120656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).