5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C19H21N3O3 — CID 109185048

IUPAC5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCC3CCCO3)nc2)c1
InChIInChI=1S/C19H21N3O3/c1-13(23)14-4-2-5-15(10-14)22-16-7-8-18(20-11-16)19(24)21-12-17-6-3-9-25-17/h2,4-5,7-8,10-11,17,22H,3,6,9,12H2,1H3,(H,21,24)
InChIKeyUFFRXLYYKZCSEN-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.94
Rot. Bonds6

About 5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109185048) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109185048
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCC3CCCO3)nc2)c1
InChIInChI=1S/C19H21N3O3/c1-13(23)14-4-2-5-15(10-14)22-16-7-8-18(20-11-16)19(24)21-12-17-6-3-9-25-17/h2,4-5,7-8,10-11,17,22H,3,6,9,12H2,1H3,(H,21,24)
InChIKeyUFFRXLYYKZCSEN-UHFFFAOYSA-N
XLogP2.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185044
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185019
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
5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 109276874
4-(3-bromoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206875
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
5-(3-acetylanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198731
5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 109185048) is 5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is CC(=O)c1cccc(Nc2ccc(C(=O)NCC3CCCO3)nc2)c1.
What is the InChIKey of 5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is UFFRXLYYKZCSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(23)14-4-2-5-15(10-14)22-16-7-8-18(20-11-16)19(24)21-12-17-6-3-9-25-17/h2,4-5,7-8,10-11,17,22H,3,6,9,12H2,1H3,(H,21,24).
What are the key properties of 5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109185048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).