3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

C22H25N3O — CID 42810255

IUPAC3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ccc(Cn2c(C)c(C)c(C)c2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C22H25N3O/c1-15-8-10-19(11-9-15)14-25-18(4)16(2)17(3)21(25)22(26)24-13-20-7-5-6-12-23-20/h5-12H,13-14H2,1-4H3,(H,24,26)
InChIKeyCWYKCAXJEOWPLF-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.10
Rot. Bonds5

About 3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 42810255) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID42810255
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ccc(Cn2c(C)c(C)c(C)c2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C22H25N3O/c1-15-8-10-19(11-9-15)14-25-18(4)16(2)17(3)21(25)22(26)24-13-20-7-5-6-12-23-20/h5-12H,13-14H2,1-4H3,(H,24,26)
InChIKeyCWYKCAXJEOWPLF-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 42835907
2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46006079
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 71840976
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
1-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46265556
1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 146501073
3-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 110496991
ethyl 1-ethyl-3,5-dimethyl-4-(pyridin-2-ylmethylcarbamoyl)pyrrole-2-carboxylate
CID 3243321

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (CID 42810255) is 3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is Cc1ccc(Cn2c(C)c(C)c(C)c2C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is CWYKCAXJEOWPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-8-10-19(11-9-15)14-25-18(4)16(2)17(3)21(25)22(26)24-13-20-7-5-6-12-23-20/h5-12H,13-14H2,1-4H3,(H,24,26).
What are the key properties of 3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42810255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).