N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide

C23H23N3O2 — CID 175902702

IUPACN-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide
SMILESCOc1cccc(CN(C(=O)c2ccn(C)c2C)c2ccc(C#N)cc2)c1C
InChIInChI=1S/C23H23N3O2/c1-16-19(6-5-7-22(16)28-4)15-26(20-10-8-18(14-24)9-11-20)23(27)21-12-13-25(3)17(21)2/h5-13H,15H2,1-4H3
InChIKeyLEZSRGSBTLQEQB-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.37
Rot. Bonds5

About N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide

N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide (PubChem CID 175902702) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide
PubChem CID175902702
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide
SMILESCOc1cccc(CN(C(=O)c2ccn(C)c2C)c2ccc(C#N)cc2)c1C
InChIInChI=1S/C23H23N3O2/c1-16-19(6-5-7-22(16)28-4)15-26(20-10-8-18(14-24)9-11-20)23(27)21-12-13-25(3)17(21)2/h5-13H,15H2,1-4H3
InChIKeyLEZSRGSBTLQEQB-UHFFFAOYSA-N
XLogP4.37
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide (CID 175902702) is N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide is COc1cccc(CN(C(=O)c2ccn(C)c2C)c2ccc(C#N)cc2)c1C.
What is the InChIKey of N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide?
The InChIKey is LEZSRGSBTLQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-19(6-5-7-22(16)28-4)15-26(20-10-8-18(14-24)9-11-20)23(27)21-12-13-25(3)17(21)2/h5-13H,15H2,1-4H3.
What are the key properties of N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide?
N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 175902702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).