N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide

C19H23N3O2 — CID 109185179

IUPACN-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCC3CCCO3)cn2)c(C)c1
InChIInChI=1S/C19H23N3O2/c1-13-5-7-17(14(2)10-13)22-19(23)18-8-6-15(11-21-18)20-12-16-4-3-9-24-16/h5-8,10-11,16,20H,3-4,9,12H2,1-2H3,(H,22,23)
InChIKeyUWAGCRJUOPYASY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.54
Rot. Bonds5

About N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide

N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109185179) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109185179
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCC3CCCO3)cn2)c(C)c1
InChIInChI=1S/C19H23N3O2/c1-13-5-7-17(14(2)10-13)22-19(23)18-8-6-15(11-21-18)20-12-16-4-3-9-24-16/h5-8,10-11,16,20H,3-4,9,12H2,1-2H3,(H,22,23)
InChIKeyUWAGCRJUOPYASY-UHFFFAOYSA-N
XLogP3.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096195
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
5-(oxolan-2-ylmethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109185237
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343818

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (CID 109185179) is N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(NCC3CCCO3)cn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is UWAGCRJUOPYASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-5-7-17(14(2)10-13)22-19(23)18-8-6-15(11-21-18)20-12-16-4-3-9-24-16/h5-8,10-11,16,20H,3-4,9,12H2,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109185179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).