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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Related Compounds

2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 25007212
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 60800603
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CID 59509065
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
CID 67314576
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983455
3-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 54923377
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142

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).