N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide

C17H18FN3O2 — CID 9404999

IUPACN-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C17H18FN3O2/c18-14-3-1-13(2-4-14)12-20-17(22)16-11-15(5-6-19-16)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)
InChIKeyAJERYWZYCUVSMZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.99
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 9404999) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID9404999
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C17H18FN3O2/c18-14-3-1-13(2-4-14)12-20-17(22)16-11-15(5-6-19-16)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)
InChIKeyAJERYWZYCUVSMZ-UHFFFAOYSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 9404999) is N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is AJERYWZYCUVSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-3-1-13(2-4-14)12-20-17(22)16-11-15(5-6-19-16)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 9404999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).