N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

C22H29N3O3 — CID 90945841

IUPACN-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCc1ccc(-c2cc(N3CCC(O)C3CO)ncc2N(C)C(=O)C(C)C)cc1
InChIInChI=1S/C22H29N3O3/c1-14(2)22(28)24(4)18-12-23-21(25-10-9-20(27)19(25)13-26)11-17(18)16-7-5-15(3)6-8-16/h5-8,11-12,14,19-20,26-27H,9-10,13H2,1-4H3
InChIKeyILZDULCARPZALZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.61
Rot. Bonds5

About N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 90945841) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
PubChem CID90945841
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCc1ccc(-c2cc(N3CCC(O)C3CO)ncc2N(C)C(=O)C(C)C)cc1
InChIInChI=1S/C22H29N3O3/c1-14(2)22(28)24(4)18-12-23-21(25-10-9-20(27)19(25)13-26)11-17(18)16-7-5-15(3)6-8-16/h5-8,11-12,14,19-20,26-27H,9-10,13H2,1-4H3
InChIKeyILZDULCARPZALZ-UHFFFAOYSA-N
XLogP2.61
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide 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-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide (CID 90945841) is N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide is Cc1ccc(-c2cc(N3CCC(O)C3CO)ncc2N(C)C(=O)C(C)C)cc1.
What is the InChIKey of N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The InChIKey is ILZDULCARPZALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14(2)22(28)24(4)18-12-23-21(25-10-9-20(27)19(25)13-26)11-17(18)16-7-5-15(3)6-8-16/h5-8,11-12,14,19-20,26-27H,9-10,13H2,1-4H3.
What are the key properties of N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 383.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 90945841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).