4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide

C19H23N3O — CID 5019028

IUPAC4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1CCC
InChIInChI=1S/C19H23N3O/c1-4-6-16-18(15-9-7-14(12-20)8-10-15)17(19(21)23)13(3)22(16)11-5-2/h7-10H,4-6,11H2,1-3H3,(H2,21,23)
InChIKeyOJPWREHLJVWDTO-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.80
Rot. Bonds6

About 4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide

4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide (PubChem CID 5019028) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide
PubChem CID5019028
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1CCC
InChIInChI=1S/C19H23N3O/c1-4-6-16-18(15-9-7-14(12-20)8-10-15)17(19(21)23)13(3)22(16)11-5-2/h7-10H,4-6,11H2,1-3H3,(H2,21,23)
InChIKeyOJPWREHLJVWDTO-UHFFFAOYSA-N
XLogP3.80
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyanophenyl)-5-ethyl-2-methyl-1-undecylpyrrole-3-carboxamide
CID 3864069
5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methylpyrrole-3-carboxamide
CID 3445579
4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 5012624
4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3734908
5-butyl-4-(4-cyanophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3741402
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide
CID 59526415
5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3824561
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide
CID 3732537
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate
CID 3719108
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide (CID 5019028) is 4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide is CCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1CCC.
What is the InChIKey of 4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide?
The InChIKey is OJPWREHLJVWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-4-6-16-18(15-9-7-14(12-20)8-10-15)17(19(21)23)13(3)22(16)11-5-2/h7-10H,4-6,11H2,1-3H3,(H2,21,23).
What are the key properties of 4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide?
4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide is sourced from PubChem (CID 5019028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).