4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide

C19H23N3O2 — CID 27554699

IUPAC4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H23N3O2/c1-19(2,3)16-8-6-15(7-9-16)18(24)22-13-17(23)21-12-14-5-4-10-20-11-14/h4-11H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUFIQZMRKMDWZPF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.43
Rot. Bonds5

About 4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide

4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide (PubChem CID 27554699) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
PubChem CID27554699
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H23N3O2/c1-19(2,3)16-8-6-15(7-9-16)18(24)22-13-17(23)21-12-14-5-4-10-20-11-14/h4-11H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUFIQZMRKMDWZPF-UHFFFAOYSA-N
XLogP2.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide
CID 110410639
4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46479161
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087356
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide (CID 27554699) is 4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide?
The InChIKey is UFIQZMRKMDWZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2,3)16-8-6-15(7-9-16)18(24)22-13-17(23)21-12-14-5-4-10-20-11-14/h4-11H,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide?
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 27554699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).