5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide

C23H21N5O — CID 23030253

IUPAC5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide
SMILESCCc1cc(-n2c(C)c(C#N)c(-c3ccc(C#N)cc3)c2C)cnc1C(=O)NC
InChIInChI=1S/C23H21N5O/c1-5-17-10-19(13-27-22(17)23(29)26-4)28-14(2)20(12-25)21(15(28)3)18-8-6-16(11-24)7-9-18/h6-10,13H,5H2,1-4H3,(H,26,29)
InChIKeyWYRCYBAVVXLMTP-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.82
Rot. Bonds4

About 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide

5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide (PubChem CID 23030253) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide
PubChem CID23030253
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide
SMILESCCc1cc(-n2c(C)c(C#N)c(-c3ccc(C#N)cc3)c2C)cnc1C(=O)NC
InChIInChI=1S/C23H21N5O/c1-5-17-10-19(13-27-22(17)23(29)26-4)28-14(2)20(12-25)21(15(28)3)18-8-6-16(11-24)7-9-18/h6-10,13H,5H2,1-4H3,(H,26,29)
InChIKeyWYRCYBAVVXLMTP-UHFFFAOYSA-N
XLogP3.82
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-chloro-5-(hydroxymethyl)-3-pyridinyl]methyl]-4-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carbonitrile;hydrobromide
CID 24782484
[2-chloro-5-[[4-cyano-3-(4-cyanophenyl)-2-methyl-5-propylpyrrol-1-yl]methyl]-3-pyridinyl]methyl carbamate
CID 24784198
N-[[4-[[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-1-methylimidazole-2-carboxamide
CID 155022839
(E)-3-[[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]methyl]-4-hydrazinyl-2-methylidenebut-3-enoic acid
CID 89313429
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
1-[[6-chloro-5-(hydroxymethyl)-3-pyridinyl]methyl]-4-(4-cyanophenyl)-5-methyl-2-propylpyrrole-3-carbonitrile;methanesulfonic acid
CID 86621758
ethanol;4-[2,3,4,5,6-pentakis(4-cyanophenyl)phenyl]benzonitrile
CID 139144298
but-3-enenitrile;5-[[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]methyl]pyridine-2-carboxamide
CID 142260889
4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide
CID 45111454
1-[[6-chloro-5-(hydroxymethyl)-3-pyridinyl]methyl]-4-(4-cyanophenyl)-2-(2-hydroxybutan-2-yl)-5-methylpyrrole-3-carbonitrile
CID 143243767
4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide
CID 170387742
3-[3-cyano-4-(4-cyanophenyl)-5-methyl-1H-pyrrol-2-yl]prop-2-enoic acid
CID 69242044

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide (CID 23030253) is 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide is CCc1cc(-n2c(C)c(C#N)c(-c3ccc(C#N)cc3)c2C)cnc1C(=O)NC.
What is the InChIKey of 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide?
The InChIKey is WYRCYBAVVXLMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-5-17-10-19(13-27-22(17)23(29)26-4)28-14(2)20(12-25)21(15(28)3)18-8-6-16(11-24)7-9-18/h6-10,13H,5H2,1-4H3,(H,26,29).
What are the key properties of 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide?
5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 23030253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).