5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C17H18FN3O2 — CID 109185019

IUPAC5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2ccccc2F)cn1
InChIInChI=1S/C17H18FN3O2/c18-14-5-1-2-6-15(14)21-12-7-8-16(19-10-12)17(22)20-11-13-4-3-9-23-13/h1-2,5-8,10,13,21H,3-4,9,11H2,(H,20,22)
InChIKeyKXYWYOHNPUEAJB-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.87
Rot. Bonds5

About 5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109185019) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109185019
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2ccccc2F)cn1
InChIInChI=1S/C17H18FN3O2/c18-14-5-1-2-6-15(14)21-12-7-8-16(19-10-12)17(22)20-11-13-4-3-9-23-13/h1-2,5-8,10,13,21H,3-4,9,11H2,(H,20,22)
InChIKeyKXYWYOHNPUEAJB-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184938
2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300968
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109183069
5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185048
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060
6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853587
5-(3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185044
6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 109185019) is 5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CCCO1)c1ccc(Nc2ccccc2F)cn1.
What is the InChIKey of 5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is KXYWYOHNPUEAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-5-1-2-6-15(14)21-12-7-8-16(19-10-12)17(22)20-11-13-4-3-9-23-13/h1-2,5-8,10,13,21H,3-4,9,11H2,(H,20,22).
What are the key properties of 5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109185019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).