2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide

C14H16N4O3 — CID 145464595

IUPAC2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCCc1ccc(O)c(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)c1
InChIInChI=1S/C14H16N4O3/c1-2-7-3-4-11(19)8(5-7)10-6-9(12(15)20)13(17-10)18-14(16)21/h3-6,17,19H,2H2,1H3,(H2,15,20)(H3,16,18,21)
InChIKeyFSAMKGQOJPIEPF-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.54
Rot. Bonds4

About 2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 145464595) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID145464595
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCCc1ccc(O)c(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)c1
InChIInChI=1S/C14H16N4O3/c1-2-7-3-4-11(19)8(5-7)10-6-9(12(15)20)13(17-10)18-14(16)21/h3-6,17,19H,2H2,1H3,(H2,15,20)(H3,16,18,21)
InChIKeyFSAMKGQOJPIEPF-UHFFFAOYSA-N
XLogP1.54
TPSA134.23 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide (CID 145464595) is 2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide is CCc1ccc(O)c(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)c1.
What is the InChIKey of 2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is FSAMKGQOJPIEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-7-3-4-11(19)8(5-7)10-6-9(12(15)20)13(17-10)18-14(16)21/h3-6,17,19H,2H2,1H3,(H2,15,20)(H3,16,18,21).
What are the key properties of 2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 145464595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).