5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C17H17F2N3O2 — CID 109228908

IUPAC5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H17F2N3O2/c18-15-4-3-12(7-16(15)19)22-13-6-11(8-20-9-13)17(23)21-10-14-2-1-5-24-14/h3-4,6-9,14,22H,1-2,5,10H2,(H,21,23)
InChIKeyZBKJMJYNHPKTBS-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.01
Rot. Bonds5

About 5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109228908) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109228908
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H17F2N3O2/c18-15-4-3-12(7-16(15)19)22-13-6-11(8-20-9-13)17(23)21-10-14-2-1-5-24-14/h3-4,6-9,14,22H,1-2,5,10H2,(H,21,23)
InChIKeyZBKJMJYNHPKTBS-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

Analyze 5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109228869
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896
3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103988
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228826
5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228852
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104008
N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228950
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 109228908) is 5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cncc(Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZBKJMJYNHPKTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c18-15-4-3-12(7-16(15)19)22-13-6-11(8-20-9-13)17(23)21-10-14-2-1-5-24-14/h3-4,6-9,14,22H,1-2,5,10H2,(H,21,23).
What are the key properties of 5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-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-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).