N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C22H24N4O — CID 109157873

IUPACN-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(NCc3cccnc3)nc2)cc1
InChIInChI=1S/C22H24N4O/c1-22(2,3)18-7-9-19(10-8-18)26-21(27)17-6-11-20(25-15-17)24-14-16-5-4-12-23-13-16/h4-13,15H,14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyYUWUBKMENCTPDX-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.64
Rot. Bonds5

About N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109157873) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID109157873
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(NCc3cccnc3)nc2)cc1
InChIInChI=1S/C22H24N4O/c1-22(2,3)18-7-9-19(10-8-18)26-21(27)17-6-11-20(25-15-17)24-14-16-5-4-12-23-13-16/h4-13,15H,14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyYUWUBKMENCTPDX-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)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
N-(4-tert-butylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371017
3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide
CID 113012780
6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157913
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
N-(2-bromo-4-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157908
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 109157873) is N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccc(NCc3cccnc3)nc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is YUWUBKMENCTPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-22(2,3)18-7-9-19(10-8-18)26-21(27)17-6-11-20(25-15-17)24-14-16-5-4-12-23-13-16/h4-13,15H,14H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-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)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109157873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).