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

C17H18FN3O2 — CID 109185196

IUPACN-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C17H18FN3O2/c18-14-5-1-2-6-15(14)21-17(22)16-8-7-12(10-20-16)19-11-13-4-3-9-23-13/h1-2,5-8,10,13,19H,3-4,9,11H2,(H,21,22)
InChIKeyQJMMPJPBUWYCMF-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.06
Rot. Bonds5

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

N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109185196) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109185196
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C17H18FN3O2/c18-14-5-1-2-6-15(14)21-17(22)16-8-7-12(10-20-16)19-11-13-4-3-9-23-13/h1-2,5-8,10,13,19H,3-4,9,11H2,(H,21,22)
InChIKeyQJMMPJPBUWYCMF-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

5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185019
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184938
N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185179
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219
5-(oxolan-2-ylmethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109185237
2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113010626
(4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109185136

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (CID 109185196) is N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(NCC2CCCO2)cn1.
What is the InChIKey of N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is QJMMPJPBUWYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-5-1-2-6-15(14)21-17(22)16-8-7-12(10-20-16)19-11-13-4-3-9-23-13/h1-2,5-8,10,13,19H,3-4,9,11H2,(H,21,22).
What are the key properties of N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-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-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109185196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).