N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide

C20H21N3O — CID 71841020

IUPACN-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2C)cc1C
InChIInChI=1S/C20H21N3O/c1-14-4-5-16(10-15(14)2)12-22-20(24)19-11-18(13-23(19)3)17-6-8-21-9-7-17/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyKWEDDFPJKMILNA-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.63
Rot. Bonds4

About N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide

N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 71841020) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID71841020
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2C)cc1C
InChIInChI=1S/C20H21N3O/c1-14-4-5-16(10-15(14)2)12-22-20(24)19-11-18(13-23(19)3)17-6-8-21-9-7-17/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyKWEDDFPJKMILNA-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159740
1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71819739
1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159749
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732
4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 97443116
N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840926
N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159731
N-(1,3-benzodioxol-5-ylmethyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159839
1-[(3,4-dimethylphenyl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 72867320
N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56818575

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (CID 71841020) is N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2C)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is KWEDDFPJKMILNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-4-5-16(10-15(14)2)12-22-20(24)19-11-18(13-23(19)3)17-6-8-21-9-7-17/h4-11,13H,12H2,1-3H3,(H,22,24).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 71841020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).