2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

C22H28N4O3 — CID 109083227

IUPAC2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C(=O)NCC3CCCO3)ccn2)cc1
InChIInChI=1S/C22H28N4O3/c1-3-26(4-2)18-9-7-17(8-10-18)25-22(28)20-14-16(11-12-23-20)21(27)24-15-19-6-5-13-29-19/h7-12,14,19H,3-6,13,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPJAYSFOMSOWKOY-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.09
Rot. Bonds8

About 2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109083227) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109083227
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C(=O)NCC3CCCO3)ccn2)cc1
InChIInChI=1S/C22H28N4O3/c1-3-26(4-2)18-9-7-17(8-10-18)25-22(28)20-14-16(11-12-23-20)21(27)24-15-19-6-5-13-29-19/h7-12,14,19H,3-6,13,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPJAYSFOMSOWKOY-UHFFFAOYSA-N
XLogP3.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083201
6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344009
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083250
2-N-(oxolan-2-ylmethyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109083306
4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090511

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109083227) is 2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is CCN(CC)c1ccc(NC(=O)c2cc(C(=O)NCC3CCCO3)ccn2)cc1.
What is the InChIKey of 2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is PJAYSFOMSOWKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-26(4-2)18-9-7-17(8-10-18)25-22(28)20-14-16(11-12-23-20)21(27)24-15-19-6-5-13-29-19/h7-12,14,19H,3-6,13,15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).