N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide

C22H24N4O — CID 109171748

IUPACN-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnc(NCc3ccccn3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-22(2,3)17-7-9-18(10-8-17)26-21(27)16-11-13-24-20(14-16)25-15-19-6-4-5-12-23-19/h4-14H,15H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyLRBLWGKTKVQGSN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.64
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide

N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109171748) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
PubChem CID109171748
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnc(NCc3ccccn3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-22(2,3)17-7-9-18(10-8-17)26-21(27)16-11-13-24-20(14-16)25-15-19-6-4-5-12-23-19/h4-14H,15H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyLRBLWGKTKVQGSN-UHFFFAOYSA-N
XLogP4.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171770
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171760
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171792
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171786
N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283133
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652
N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109175256
N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171754
4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212905
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
N-(4-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170825

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide (CID 109171748) is N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccnc(NCc3ccccn3)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is LRBLWGKTKVQGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-22(2,3)17-7-9-18(10-8-17)26-21(27)16-11-13-24-20(14-16)25-15-19-6-4-5-12-23-19/h4-14H,15H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109171748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).