N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide

C21H27N3O2 — CID 71124574

IUPACN-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)N2CC[C@@H](NC(=O)c3ccncc3)C2)c(C)c1C
InChIInChI=1S/C21H27N3O2/c1-14-15(2)20(26-4)6-5-19(14)16(3)24-12-9-18(13-24)23-21(25)17-7-10-22-11-8-17/h5-8,10-11,16,18H,9,12-13H2,1-4H3,(H,23,25)/t16?,18-/m1/s1
InChIKeyLXXRUFJJDVFEPK-UHUGOGIASA-N
MW353.47 g/mol
LogP3.27
Rot. Bonds5

About N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide

N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 71124574) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID71124574
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)N2CC[C@@H](NC(=O)c3ccncc3)C2)c(C)c1C
InChIInChI=1S/C21H27N3O2/c1-14-15(2)20(26-4)6-5-19(14)16(3)24-12-9-18(13-24)23-21(25)17-7-10-22-11-8-17/h5-8,10-11,16,18H,9,12-13H2,1-4H3,(H,23,25)/t16?,18-/m1/s1
InChIKeyLXXRUFJJDVFEPK-UHUGOGIASA-N
XLogP3.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide 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)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide (CID 71124574) is N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide is COc1ccc(C(C)N2CC[C@@H](NC(=O)c3ccncc3)C2)c(C)c1C.
What is the InChIKey of N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is LXXRUFJJDVFEPK-UHUGOGIASA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-15(2)20(26-4)6-5-19(14)16(3)24-12-9-18(13-24)23-21(25)17-7-10-22-11-8-17/h5-8,10-11,16,18H,9,12-13H2,1-4H3,(H,23,25)/t16?,18-/m1/s1.
What are the key properties of N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide?
N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 71124574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).