2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide

C11H11N5O2 — CID 59285878

IUPAC2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2cccnc2)cc1C(N)=O
InChIInChI=1S/C11H11N5O2/c12-9(17)7-4-8(6-2-1-3-14-5-6)15-10(7)16-11(13)18/h1-5,15H,(H2,12,17)(H3,13,16,18)
InChIKeyLUYLIELBZBNVFJ-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.67
Rot. Bonds3

About 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide (PubChem CID 59285878) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
PubChem CID59285878
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2cccnc2)cc1C(N)=O
InChIInChI=1S/C11H11N5O2/c12-9(17)7-4-8(6-2-1-3-14-5-6)15-10(7)16-11(13)18/h1-5,15H,(H2,12,17)(H3,13,16,18)
InChIKeyLUYLIELBZBNVFJ-UHFFFAOYSA-N
XLogP0.67
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide (CID 59285878) is 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide is NC(=O)Nc1[nH]c(-c2cccnc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide?
The InChIKey is LUYLIELBZBNVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-9(17)7-4-8(6-2-1-3-14-5-6)15-10(7)16-11(13)18/h1-5,15H,(H2,12,17)(H3,13,16,18).
What are the key properties of 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59285878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).