5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide

C17H19N3O2 — CID 109185172

IUPAC5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C17H19N3O2/c21-17(20-13-5-2-1-3-6-13)16-9-8-14(11-19-16)18-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15,18H,4,7,10,12H2,(H,20,21)
InChIKeyVLNQOPJEYDEMLD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.92
Rot. Bonds5

About 5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide

5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide (PubChem CID 109185172) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
PubChem CID109185172
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C17H19N3O2/c21-17(20-13-5-2-1-3-6-13)16-9-8-14(11-19-16)18-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15,18H,4,7,10,12H2,(H,20,21)
InChIKeyVLNQOPJEYDEMLD-UHFFFAOYSA-N
XLogP2.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
5-(oxolan-2-ylmethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109185237
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-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185179
(4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109185136
2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252640
N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109185160
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184938
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide (CID 109185172) is 5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide is O=C(Nc1ccccc1)c1ccc(NCC2CCCO2)cn1.
What is the InChIKey of 5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide?
The InChIKey is VLNQOPJEYDEMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(20-13-5-2-1-3-6-13)16-9-8-14(11-19-16)18-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15,18H,4,7,10,12H2,(H,20,21).
What are the key properties of 5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide?
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109185172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).