N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

C17H18FN3O2 — CID 109229052

IUPACN-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cncc(NCC2CCCO2)c1
InChIInChI=1S/C17H18FN3O2/c18-13-3-1-4-14(8-13)21-17(22)12-7-15(10-19-9-12)20-11-16-5-2-6-23-16/h1,3-4,7-10,16,20H,2,5-6,11H2,(H,21,22)
InChIKeyHLZVYCSWLYFERB-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.06
Rot. Bonds5

About N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109229052) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109229052
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cncc(NCC2CCCO2)c1
InChIInChI=1S/C17H18FN3O2/c18-13-3-1-4-14(8-13)21-17(22)12-7-15(10-19-9-12)20-11-16-5-2-6-23-16/h1,3-4,7-10,16,20H,2,5-6,11H2,(H,21,22)
InChIKeyHLZVYCSWLYFERB-UHFFFAOYSA-N
XLogP3.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229072
N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343844
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109229065
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229049
3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
CID 47051038
N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235741
N-(furan-2-ylmethyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228917
N-(3-fluorophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235989
N-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (CID 109229052) is N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1cccc(F)c1)c1cncc(NCC2CCCO2)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is HLZVYCSWLYFERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-3-1-4-14(8-13)21-17(22)12-7-15(10-19-9-12)20-11-16-5-2-6-23-16/h1,3-4,7-10,16,20H,2,5-6,11H2,(H,21,22).
What are the key properties of N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109229052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).