1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

C22H28N4O2 — CID 42750960

IUPAC1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCC(C)(C)c1ccc(-n2ccc(C#N)c2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)18-4-6-19(7-5-18)26-10-8-17(16-23)20(26)21(27)24-9-11-25-12-14-28-15-13-25/h4-8,10H,9,11-15H2,1-3H3,(H,24,27)
InChIKeyKDOUIEWERZFCOC-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.71
Rot. Bonds5

About 1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (PubChem CID 42750960) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
PubChem CID42750960
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCC(C)(C)c1ccc(-n2ccc(C#N)c2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)18-4-6-19(7-5-18)26-10-8-17(16-23)20(26)21(27)24-9-11-25-12-14-28-15-13-25/h4-8,10H,9,11-15H2,1-3H3,(H,24,27)
InChIKeyKDOUIEWERZFCOC-UHFFFAOYSA-N
XLogP2.71
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
CID 42748856
3-cyano-1-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
CID 42749055
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
(E)-3-(4-tert-butylphenyl)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 845852
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
N'-[1-(4-tert-butylphenyl)ethenyl]-2-morpholin-4-ylacetohydrazide
CID 5177812
3-(4-tert-butylphenyl)-2-cyano-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 3319779
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (CID 42750960) is 1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is CC(C)(C)c1ccc(-n2ccc(C#N)c2C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The InChIKey is KDOUIEWERZFCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2,3)18-4-6-19(7-5-18)26-10-8-17(16-23)20(26)21(27)24-9-11-25-12-14-28-15-13-25/h4-8,10H,9,11-15H2,1-3H3,(H,24,27).
What are the key properties of 1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42750960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).