5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C17H17F2N3O2 — CID 109185098

IUPAC5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C17H17F2N3O2/c18-13-4-1-5-14(19)16(13)22-11-6-7-15(20-9-11)17(23)21-10-12-3-2-8-24-12/h1,4-7,9,12,22H,2-3,8,10H2,(H,21,23)
InChIKeyHMVXHXHQIKHFHD-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.01
Rot. Bonds5

About 5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109185098) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109185098
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C17H17F2N3O2/c18-13-4-1-5-14(19)16(13)22-11-6-7-15(20-9-11)17(23)21-10-12-3-2-8-24-12/h1,4-7,9,12,22H,2-3,8,10H2,(H,21,23)
InChIKeyHMVXHXHQIKHFHD-UHFFFAOYSA-N
XLogP3.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185048
5-(2-morpholin-4-ylethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184925
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109183069
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
5-(3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185044
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 109185098) is 5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CCCO1)c1ccc(Nc2c(F)cccc2F)cn1.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is HMVXHXHQIKHFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c18-13-4-1-5-14(19)16(13)22-11-6-7-15(20-9-11)17(23)21-10-12-3-2-8-24-12/h1,4-7,9,12,22H,2-3,8,10H2,(H,21,23).
What are the key properties of 5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109185098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).