N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide

C28H33N3O3 — CID 45489429

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccccc1O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H33N3O3/c1-27(2,3)20-13-15-21(16-14-20)31(26(34)22-11-7-8-12-23(22)32)24(19-10-9-17-29-18-19)25(33)30-28(4,5)6/h7-18,24,32H,1-6H3,(H,30,33)
InChIKeyRSDXNCVLJWSXJI-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.39
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide (PubChem CID 45489429) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide
PubChem CID45489429
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccccc1O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H33N3O3/c1-27(2,3)20-13-15-21(16-14-20)31(26(34)22-11-7-8-12-23(22)32)24(19-10-9-17-29-18-19)25(33)30-28(4,5)6/h7-18,24,32H,1-6H3,(H,30,33)
InChIKeyRSDXNCVLJWSXJI-UHFFFAOYSA-N
XLogP5.39
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

GR-55562
CID 128018
N-[4-({4-[5-(4,4-Dimethylpiperidin-1-YL)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-YL]isonicotinamide
CID 5289253
N-[4-({4-[5-(Dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-YL]isonicotinamide
CID 5289255
N-(4-{[4-(2-Hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-YL)isonicotinamide
CID 5289256
N-[4-({4-[5-(3,3-Dimethylpiperidin-1-YL)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-YL]isonicotinamide
CID 5289257
2-hydroxy-N-((pyridin-2-yl)methyl)benzamide
CID 778091
2-methoxy-N-[4-(4-pyridinylmethyl)phenyl]benzamide
CID 776740
(R)-3-(2-hydroxy-3-(4-picolinoylpiperazine-1-carbonyl)phenylamino)-4-(1-phenylpropylamino)cyclobut-3-ene-1,2-dione
CID 10230576
2-hydroxy-N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)benzamide
CID 10455135
2-hydroxy-N-(pyridin-3-yl)benzamide
CID 578240
Casein kinase 1|A-IN-10
CID 5442100
N-[(3R,4R)-4-[[4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide;trihydrochloride
CID 11169887

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide (CID 45489429) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide is CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccccc1O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide?
The InChIKey is RSDXNCVLJWSXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-27(2,3)20-13-15-21(16-14-20)31(26(34)22-11-7-8-12-23(22)32)24(19-10-9-17-29-18-19)25(33)30-28(4,5)6/h7-18,24,32H,1-6H3,(H,30,33).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide has a molecular weight of 459.59 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 45489429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).