2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide

C18H16FN5O3 — CID 59285990

IUPAC2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2cc(F)ccc2OCc2cccnc2)cc1C(N)=O
InChIInChI=1S/C18H16FN5O3/c19-11-3-4-15(27-9-10-2-1-5-22-8-10)12(6-11)14-7-13(16(20)25)17(23-14)24-18(21)26/h1-8,23H,9H2,(H2,20,25)(H3,21,24,26)
InChIKeyZFIXEZQHZANRDK-UHFFFAOYSA-N
MW369.36 g/mol
LogP2.38
Rot. Bonds6

About 2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 59285990) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID59285990
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2cc(F)ccc2OCc2cccnc2)cc1C(N)=O
InChIInChI=1S/C18H16FN5O3/c19-11-3-4-15(27-9-10-2-1-5-22-8-10)12(6-11)14-7-13(16(20)25)17(23-14)24-18(21)26/h1-8,23H,9H2,(H2,20,25)(H3,21,24,26)
InChIKeyZFIXEZQHZANRDK-UHFFFAOYSA-N
XLogP2.38
TPSA136.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide (CID 59285990) is 2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide is NC(=O)Nc1[nH]c(-c2cc(F)ccc2OCc2cccnc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is ZFIXEZQHZANRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c19-11-3-4-15(27-9-10-2-1-5-22-8-10)12(6-11)14-7-13(16(20)25)17(23-14)24-18(21)26/h1-8,23H,9H2,(H2,20,25)(H3,21,24,26).
What are the key properties of 2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 369.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59285990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).