2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide

C15H17FN4O3 — CID 174600122

IUPAC2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cc(C(N)=O)c(N(N)C=O)[nH]1
InChIInChI=1S/C15H17FN4O3/c1-2-5-23-13-4-3-9(16)6-10(13)12-7-11(14(17)22)15(19-12)20(18)8-21/h3-4,6-8,19H,2,5,18H2,1H3,(H2,17,22)
InChIKeyXOXLTCVGIBVESL-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.54
Rot. Bonds7

About 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide

2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 174600122) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID174600122
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cc(C(N)=O)c(N(N)C=O)[nH]1
InChIInChI=1S/C15H17FN4O3/c1-2-5-23-13-4-3-9(16)6-10(13)12-7-11(14(17)22)15(19-12)20(18)8-21/h3-4,6-8,19H,2,5,18H2,1H3,(H2,17,22)
InChIKeyXOXLTCVGIBVESL-UHFFFAOYSA-N
XLogP1.54
TPSA114.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide (CID 174600122) is 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide is CCCOc1ccc(F)cc1-c1cc(C(N)=O)c(N(N)C=O)[nH]1.
What is the InChIKey of 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is XOXLTCVGIBVESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-2-5-23-13-4-3-9(16)6-10(13)12-7-11(14(17)22)15(19-12)20(18)8-21/h3-4,6-8,19H,2,5,18H2,1H3,(H2,17,22).
What are the key properties of 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 174600122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).