2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide

C24H22N2O — CID 5168466

IUPAC2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide
SMILESCc1cccc(Cn2c(-c3ccc4ccccc4c3)cc(C(N)=O)c2C)c1
InChIInChI=1S/C24H22N2O/c1-16-6-5-7-18(12-16)15-26-17(2)22(24(25)27)14-23(26)21-11-10-19-8-3-4-9-20(19)13-21/h3-14H,15H2,1-2H3,(H2,25,27)
InChIKeyMBFXWZWMVHAJIH-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.07
Rot. Bonds4

About 2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide

2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide (PubChem CID 5168466) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide
PubChem CID5168466
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide
SMILESCc1cccc(Cn2c(-c3ccc4ccccc4c3)cc(C(N)=O)c2C)c1
InChIInChI=1S/C24H22N2O/c1-16-6-5-7-18(12-16)15-26-17(2)22(24(25)27)14-23(26)21-11-10-19-8-3-4-9-20(19)13-21/h3-14H,15H2,1-2H3,(H2,25,27)
InChIKeyMBFXWZWMVHAJIH-UHFFFAOYSA-N
XLogP5.07
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168469
2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
CID 3851003
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168471
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
ethyl 4-[4-carbamoyl-5-methyl-1-[(3-methylphenyl)methyl]pyrrol-2-yl]-1,3-thiazole-2-carboxylate
CID 3274931
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
2-methyl-5-(4-methylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3863074
5-(3-cyanophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3828786
2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3351332
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide (CID 5168466) is 2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide is Cc1cccc(Cn2c(-c3ccc4ccccc4c3)cc(C(N)=O)c2C)c1.
What is the InChIKey of 2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide?
The InChIKey is MBFXWZWMVHAJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-16-6-5-7-18(12-16)15-26-17(2)22(24(25)27)14-23(26)21-11-10-19-8-3-4-9-20(19)13-21/h3-14H,15H2,1-2H3,(H2,25,27).
What are the key properties of 2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide?
2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 5168466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).