4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide

C22H24N4O — CID 113027652

IUPAC4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NCc3ccccn3)cn2)cc1
InChIInChI=1S/C22H24N4O/c1-22(2,3)17-9-7-16(8-10-17)21(27)26-20-12-11-19(15-25-20)24-14-18-6-4-5-13-23-18/h4-13,15,24H,14H2,1-3H3,(H,25,26,27)
InChIKeyMVNFDQIQKHPQKY-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.64
Rot. Bonds5

About 4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide

4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide (PubChem CID 113027652) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
PubChem CID113027652
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NCc3ccccn3)cn2)cc1
InChIInChI=1S/C22H24N4O/c1-22(2,3)17-9-7-16(8-10-17)21(27)26-20-12-11-19(15-25-20)24-14-18-6-4-5-13-23-18/h4-13,15,24H,14H2,1-3H3,(H,25,26,27)
InChIKeyMVNFDQIQKHPQKY-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

4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027675
N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171748
N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283133
3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113027627
4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
CID 113025045
2-phenoxy-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027662
2-(2-methoxyphenoxy)-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027673
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999
2-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012661
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113012694

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide (CID 113027652) is 4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(NCc3ccccn3)cn2)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide?
The InChIKey is MVNFDQIQKHPQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-22(2,3)17-9-7-16(8-10-17)21(27)26-20-12-11-19(15-25-20)24-14-18-6-4-5-13-23-18/h4-13,15,24H,14H2,1-3H3,(H,25,26,27).
What are the key properties of 4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide?
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide 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 4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113027652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).