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

C25H24N2O3 — CID 5168471

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
SMILESCOc1cccc(Cn2c(-c3ccc4ccccc4c3)cc(C(N)=O)c2C)c1OC
InChIInChI=1S/C25H24N2O3/c1-16-21(25(26)28)14-22(19-12-11-17-7-4-5-8-18(17)13-19)27(16)15-20-9-6-10-23(29-2)24(20)30-3/h4-14H,15H2,1-3H3,(H2,26,28)
InChIKeyPYBCMBFNLOKLDI-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.78
Rot. Bonds6

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

1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide (PubChem CID 5168471) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
PubChem CID5168471
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
SMILESCOc1cccc(Cn2c(-c3ccc4ccccc4c3)cc(C(N)=O)c2C)c1OC
InChIInChI=1S/C25H24N2O3/c1-16-21(25(26)28)14-22(19-12-11-17-7-4-5-8-18(17)13-19)27(16)15-20-9-6-10-23(29-2)24(20)30-3/h4-14H,15H2,1-3H3,(H2,26,28)
InChIKeyPYBCMBFNLOKLDI-UHFFFAOYSA-N
XLogP4.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168466
1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168469
2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3351332
2-methyl-5-(4-methylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3863074
5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3821121
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3862274
5-(3-cyanophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3828786
1-[(2-methoxyphenyl)methyl]-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 3857906
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3731735
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide (CID 5168471) is 1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide is COc1cccc(Cn2c(-c3ccc4ccccc4c3)cc(C(N)=O)c2C)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide?
The InChIKey is PYBCMBFNLOKLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16-21(25(26)28)14-22(19-12-11-17-7-4-5-8-18(17)13-19)27(16)15-20-9-6-10-23(29-2)24(20)30-3/h4-14H,15H2,1-3H3,(H2,26,28).
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide?
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 5168471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).