4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide

C14H17N3O — CID 43641988

IUPAC4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-3-17-10-11(15)9-13(17)14(18)16(2)12-7-5-4-6-8-12/h4-10H,3,15H2,1-2H3
InChIKeyYTTQYFAIGDBEQA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds3

About 4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide

4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide (PubChem CID 43641988) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide
PubChem CID43641988
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-3-17-10-11(15)9-13(17)14(18)16(2)12-7-5-4-6-8-12/h4-10H,3,15H2,1-2H3
InChIKeyYTTQYFAIGDBEQA-UHFFFAOYSA-N
XLogP2.37
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide
CID 64586919
4-amino-N-methyl-1-propyl-N-pyridin-4-ylpyrrole-2-carboxamide
CID 106934249
4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 61105047
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide
CID 43643059
(2,2-difluoro-2-phenylethyl) 4-amino-1-ethylpyrrole-2-carboxylate
CID 116790275
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 61116342
4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
CID 61106069
4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 63878701
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide (CID 43641988) is 4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(C)c1ccccc1.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide?
The InChIKey is YTTQYFAIGDBEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-17-10-11(15)9-13(17)14(18)16(2)12-7-5-4-6-8-12/h4-10H,3,15H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide?
4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 43641988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).