N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide

C16H15FN4O3 — CID 89003451

IUPACN-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESO=Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1
InChIInChI=1S/C16H15FN4O3/c17-13-9-11(20-23)3-4-14(13)24-12-5-6-18-15(10-12)19-16(22)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,18,19,22)
InChIKeyDJWFLYDSFCHTPA-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.04
Rot. Bonds4

About N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide

N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 89003451) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID89003451
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC NameN-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESO=Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1
InChIInChI=1S/C16H15FN4O3/c17-13-9-11(20-23)3-4-14(13)24-12-5-6-18-15(10-12)19-16(22)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,18,19,22)
InChIKeyDJWFLYDSFCHTPA-UHFFFAOYSA-N
XLogP4.04
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide (CID 89003451) is N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide is O=Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1.
What is the InChIKey of N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is DJWFLYDSFCHTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c17-13-9-11(20-23)3-4-14(13)24-12-5-6-18-15(10-12)19-16(22)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,18,19,22).
What are the key properties of N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide?
N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 89003451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).