N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide

C14H13BrN4O — CID 75448858

IUPACN-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide
SMILESCCNc1ccc(Br)cc1NC(=O)c1cc(C#N)c[nH]1
InChIInChI=1S/C14H13BrN4O/c1-2-17-11-4-3-10(15)6-12(11)19-14(20)13-5-9(7-16)8-18-13/h3-6,8,17-18H,2H2,1H3,(H,19,20)
InChIKeyYUSJUAYSHAWJMT-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.33
Rot. Bonds4

About N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide

N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide (PubChem CID 75448858) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide
PubChem CID75448858
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC NameN-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide
SMILESCCNc1ccc(Br)cc1NC(=O)c1cc(C#N)c[nH]1
InChIInChI=1S/C14H13BrN4O/c1-2-17-11-4-3-10(15)6-12(11)19-14(20)13-5-9(7-16)8-18-13/h3-6,8,17-18H,2H2,1H3,(H,19,20)
InChIKeyYUSJUAYSHAWJMT-UHFFFAOYSA-N
XLogP3.33
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(2-hydroxy-5-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 71852535
N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
CID 81003561
N-(4-bromo-2-ethylphenyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 81004332
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107801225
4-cyano-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 122145471
4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide
CID 54955471
5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 62072760
2-[4-[(4-cyano-1H-pyrrole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexyl)phenyl]-2-methylpropanoic acid
CID 24874632
4-cyano-N-[2-(4-ethylpiperidin-1-yl)-5-(hydroxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 11484959
4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643363
N-(2,4-dibromophenyl)-4-(ethylamino)benzamide
CID 62177629

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide (CID 75448858) is N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide is CCNc1ccc(Br)cc1NC(=O)c1cc(C#N)c[nH]1.
What is the InChIKey of N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide?
The InChIKey is YUSJUAYSHAWJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-2-17-11-4-3-10(15)6-12(11)19-14(20)13-5-9(7-16)8-18-13/h3-6,8,17-18H,2H2,1H3,(H,19,20).
What are the key properties of N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide?
N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(ethylamino)phenyl]-4-cyano-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75448858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).