N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide

C23H22N6O3S — CID 66723385

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccn(S(=O)(=O)c2cccc(-c3ncccn3)c2)c1
InChIInChI=1S/C23H22N6O3S/c1-15-11-21(24)28-16(2)20(15)13-27-23(30)18-7-10-29(14-18)33(31,32)19-6-3-5-17(12-19)22-25-8-4-9-26-22/h3-12,14H,13H2,1-2H3,(H2,24,28)(H,27,30)
InChIKeyCFNRXFVWMJQCAJ-UHFFFAOYSA-N
MW462.54 g/mol
LogP2.71
Rot. Bonds6

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide (PubChem CID 66723385) has the molecular formula C23H22N6O3S and a molecular weight of 462.54 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide
PubChem CID66723385
Molecular FormulaC23H22N6O3S
Molecular Weight462.54 g/mol
Exact Mass462.15
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccn(S(=O)(=O)c2cccc(-c3ncccn3)c2)c1
InChIInChI=1S/C23H22N6O3S/c1-15-11-21(24)28-16(2)20(15)13-27-23(30)18-7-10-29(14-18)33(31,32)19-6-3-5-17(12-19)22-25-8-4-9-26-22/h3-12,14H,13H2,1-2H3,(H2,24,28)(H,27,30)
InChIKeyCFNRXFVWMJQCAJ-UHFFFAOYSA-N
XLogP2.71
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-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-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide (CID 66723385) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccn(S(=O)(=O)c2cccc(-c3ncccn3)c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide?
The InChIKey is CFNRXFVWMJQCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3S/c1-15-11-21(24)28-16(2)20(15)13-27-23(30)18-7-10-29(14-18)33(31,32)19-6-3-5-17(12-19)22-25-8-4-9-26-22/h3-12,14H,13H2,1-2H3,(H2,24,28)(H,27,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide has a molecular weight of 462.54 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3-pyrimidin-2-ylphenyl)sulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 66723385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).