4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide

C24H22N4O2 — CID 156672947

IUPAC4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(-n4cccc4C(N)=O)cc3)cn2C)cc1
InChIInChI=1S/C24H22N4O2/c1-16-5-9-19(10-6-16)26-24(30)22-14-18(15-27(22)2)17-7-11-20(12-8-17)28-13-3-4-21(28)23(25)29/h3-15H,1-2H3,(H2,25,29)(H,26,30)
InChIKeyPRHVOOUCMDGIHQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.14
Rot. Bonds5

About 4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide

4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide (PubChem CID 156672947) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide
PubChem CID156672947
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(-n4cccc4C(N)=O)cc3)cn2C)cc1
InChIInChI=1S/C24H22N4O2/c1-16-5-9-19(10-6-16)26-24(30)22-14-18(15-27(22)2)17-7-11-20(12-8-17)28-13-3-4-21(28)23(25)29/h3-15H,1-2H3,(H2,25,29)(H,26,30)
InChIKeyPRHVOOUCMDGIHQ-UHFFFAOYSA-N
XLogP4.14
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid
CID 135351177
1-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 174715145
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 126639866
2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325224
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide
CID 175279921
methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate
CID 118070958
tert-butyl N-[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamate
CID 139573166
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide
CID 136513814
methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 58326664
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55882184

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide (CID 156672947) is 4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(-n4cccc4C(N)=O)cc3)cn2C)cc1.
What is the InChIKey of 4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is PRHVOOUCMDGIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-5-9-19(10-6-16)26-24(30)22-14-18(15-27(22)2)17-7-11-20(12-8-17)28-13-3-4-21(28)23(25)29/h3-15H,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of 4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide?
4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 156672947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).