4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide

C15H19N3O — CID 43642713

IUPAC4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C15H19N3O/c1-3-10-6-5-7-11(4-2)14(10)18-15(19)13-8-12(16)9-17-13/h5-9,17H,3-4,16H2,1-2H3,(H,18,19)
InChIKeyDKLFAZFNVIVBIM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.97
Rot. Bonds4

About 4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43642713) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID43642713
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C15H19N3O/c1-3-10-6-5-7-11(4-2)14(10)18-15(19)13-8-12(16)9-17-13/h5-9,17H,3-4,16H2,1-2H3,(H,18,19)
InChIKeyDKLFAZFNVIVBIM-UHFFFAOYSA-N
XLogP2.97
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43410595
4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide
CID 54963208
4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 43643269
N-(2,6-diethylphenyl)-1H-imidazole-5-carboxamide
CID 110684342
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43643197
N-(2,6-diethylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600773
4-amino-N-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-amino-N-(2,6-diethylphenyl)-3-hydroxybenzamide
CID 107073824
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide (CID 43642713) is 4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide is CCc1cccc(CC)c1NC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is DKLFAZFNVIVBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-10-6-5-7-11(4-2)14(10)18-15(19)13-8-12(16)9-17-13/h5-9,17H,3-4,16H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).