5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide

C20H28N4O — CID 109239451

IUPAC5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(NC(C)(C)C)c2)cc1
InChIInChI=1S/C20H28N4O/c1-6-24(7-2)18-10-8-16(9-11-18)22-19(25)15-12-17(14-21-13-15)23-20(3,4)5/h8-14,23H,6-7H2,1-5H3,(H,22,25)
InChIKeySMAOLAWJKQOVGB-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.39
Rot. Bonds6

About 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide

5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 109239451) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
PubChem CID109239451
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(NC(C)(C)C)c2)cc1
InChIInChI=1S/C20H28N4O/c1-6-24(7-2)18-10-8-16(9-11-18)22-19(25)15-12-17(14-21-13-15)23-20(3,4)5/h8-14,23H,6-7H2,1-5H3,(H,22,25)
InChIKeySMAOLAWJKQOVGB-UHFFFAOYSA-N
XLogP4.39
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239442
N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232722
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231586
N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239465
N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239462
5-(tert-butylamino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109239408
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109238980
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
5-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide (CID 109239451) is 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cncc(NC(C)(C)C)c2)cc1.
What is the InChIKey of 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is SMAOLAWJKQOVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-6-24(7-2)18-10-8-16(9-11-18)22-19(25)15-12-17(14-21-13-15)23-20(3,4)5/h8-14,23H,6-7H2,1-5H3,(H,22,25).
What are the key properties of 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109239451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).