4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide

C20H28N4O — CID 113010730

IUPAC4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
SMILESCN(C)CCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C20H28N4O/c1-20(2,3)16-8-6-15(7-9-16)19(25)23-17-10-11-18(22-14-17)21-12-13-24(4)5/h6-11,14H,12-13H2,1-5H3,(H,21,22)(H,23,25)
InChIKeyZEZXGWFPTHKUHK-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.60
Rot. Bonds6

About 4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide

4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide (PubChem CID 113010730) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
PubChem CID113010730
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
SMILESCN(C)CCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C20H28N4O/c1-20(2,3)16-8-6-15(7-9-16)19(25)23-17-10-11-18(22-14-17)21-12-13-24(4)5/h6-11,14H,12-13H2,1-5H3,(H,21,22)(H,23,25)
InChIKeyZEZXGWFPTHKUHK-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

N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113025505
2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010719
ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109153832
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
CID 113010701
ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
CID 113010767
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
CID 113025045
N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253568

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide (CID 113010730) is 4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide is CN(C)CCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide?
The InChIKey is ZEZXGWFPTHKUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)16-8-6-15(7-9-16)19(25)23-17-10-11-18(22-14-17)21-12-13-24(4)5/h6-11,14H,12-13H2,1-5H3,(H,21,22)(H,23,25).
What are the key properties of 4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide?
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide 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 4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113010730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).