4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide

C14H17N3O — CID 43642219

IUPAC4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H17N3O/c1-3-17-9-11(15)8-13(17)14(18)16-12-6-4-10(2)5-7-12/h4-9H,3,15H2,1-2H3,(H,16,18)
InChIKeyVDKPZWMQJUVRBO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.65
Rot. Bonds3

About 4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide (PubChem CID 43642219) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
PubChem CID43642219
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H17N3O/c1-3-17-9-11(15)8-13(17)14(18)16-12-6-4-10(2)5-7-12/h4-9H,3,15H2,1-2H3,(H,16,18)
InChIKeyVDKPZWMQJUVRBO-UHFFFAOYSA-N
XLogP2.65
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 43642862
4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
CID 43643246
4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide
CID 65475007
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide
CID 43642348
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 61112066
4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 61103176
4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide
CID 43805818
4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 107363420
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrrole-2-carboxamide
CID 43643038
4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide
CID 116794605

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide (CID 43642219) is 4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is VDKPZWMQJUVRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-17-9-11(15)8-13(17)14(18)16-12-6-4-10(2)5-7-12/h4-9H,3,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43642219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).