2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide

C13H14N4O3 — CID 59285862

IUPAC2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2ccc(CO)cc2)cc1C(N)=O
InChIInChI=1S/C13H14N4O3/c14-11(19)9-5-10(16-12(9)17-13(15)20)8-3-1-7(6-18)2-4-8/h1-5,16,18H,6H2,(H2,14,19)(H3,15,17,20)
InChIKeyFMVDGOWZCIWMFQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.76
Rot. Bonds4

About 2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 59285862) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID59285862
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2ccc(CO)cc2)cc1C(N)=O
InChIInChI=1S/C13H14N4O3/c14-11(19)9-5-10(16-12(9)17-13(15)20)8-3-1-7(6-18)2-4-8/h1-5,16,18H,6H2,(H2,14,19)(H3,15,17,20)
InChIKeyFMVDGOWZCIWMFQ-UHFFFAOYSA-N
XLogP0.76
TPSA134.23 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide (CID 59285862) is 2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide is NC(=O)Nc1[nH]c(-c2ccc(CO)cc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is FMVDGOWZCIWMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-11(19)9-5-10(16-12(9)17-13(15)20)8-3-1-7(6-18)2-4-8/h1-5,16,18H,6H2,(H2,14,19)(H3,15,17,20).
What are the key properties of 2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59285862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).