5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide

C15H19N3O — CID 122693193

IUPAC5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)Nc2ccccc2)c[nH]1
InChIInChI=1S/C15H19N3O/c1-15(2,3)18-13-9-11(10-16-13)14(19)17-12-7-5-4-6-8-12/h4-10,16,18H,1-3H3,(H,17,19)
InChIKeyYFFMLUHZKYCVSI-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.48
Rot. Bonds3

About 5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide

5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 122693193) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide
PubChem CID122693193
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)Nc2ccccc2)c[nH]1
InChIInChI=1S/C15H19N3O/c1-15(2,3)18-13-9-11(10-16-13)14(19)17-12-7-5-4-6-8-12/h4-10,16,18H,1-3H3,(H,17,19)
InChIKeyYFFMLUHZKYCVSI-UHFFFAOYSA-N
XLogP3.48
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256
5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109106910
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
7-[4-(phenylcarbamoyl)-1H-pyrrol-2-yl]heptanoic acid
CID 158145950
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
3,5-ditert-butyl-4-methoxy-N-phenylbenzamide
CID 86191390
1-N,3-N-bis[4-(tert-butylamino)phenyl]-5-(2,2-dimethylpropanoyl)benzene-1,3-dicarboxamide
CID 159489703

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide (CID 122693193) is 5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide is CC(C)(C)Nc1cc(C(=O)Nc2ccccc2)c[nH]1.
What is the InChIKey of 5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is YFFMLUHZKYCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)18-13-9-11(10-16-13)14(19)17-12-7-5-4-6-8-12/h4-10,16,18H,1-3H3,(H,17,19).
What are the key properties of 5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide?
5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 122693193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).