N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide

C20H28N4O — CID 109185555

IUPACN-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C20H28N4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(25)18-11-10-17(14-22-18)21-12-13-24(4)5/h6-11,14,21H,12-13H2,1-5H3,(H,23,25)
InChIKeyFFDYXHBARRBXGS-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.60
Rot. Bonds6

About N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide

N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide (PubChem CID 109185555) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
PubChem CID109185555
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C20H28N4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(25)18-11-10-17(14-22-18)21-12-13-24(4)5/h6-11,14,21H,12-13H2,1-5H3,(H,23,25)
InChIKeyFFDYXHBARRBXGS-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109185542
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
N-(2-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185554
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187
N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185609
5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109195203
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691
5-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184198
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109366110

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide (CID 109185555) is N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide is CN(C)CCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The InChIKey is FFDYXHBARRBXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(25)18-11-10-17(14-22-18)21-12-13-24(4)5/h6-11,14,21H,12-13H2,1-5H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109185555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).