N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide

C24H26N4O2 — CID 134557942

IUPACN-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide
SMILESC=C(Nc1ccc(C(=O)NO)cc1)N(c1ccc(-c2cccnc2)cc1C)C(C)C
InChIInChI=1S/C24H26N4O2/c1-16(2)28(18(4)26-22-10-7-19(8-11-22)24(29)27-30)23-12-9-20(14-17(23)3)21-6-5-13-25-15-21/h5-16,26,30H,4H2,1-3H3,(H,27,29)
InChIKeyQPUFQONDMXFVSU-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.97
Rot. Bonds7

About N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide

N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide (PubChem CID 134557942) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide
PubChem CID134557942
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide
SMILESC=C(Nc1ccc(C(=O)NO)cc1)N(c1ccc(-c2cccnc2)cc1C)C(C)C
InChIInChI=1S/C24H26N4O2/c1-16(2)28(18(4)26-22-10-7-19(8-11-22)24(29)27-30)23-12-9-20(14-17(23)3)21-6-5-13-25-15-21/h5-16,26,30H,4H2,1-3H3,(H,27,29)
InChIKeyQPUFQONDMXFVSU-UHFFFAOYSA-N
XLogP4.97
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 89034600
5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 146021058
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
CID 25058459
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 164884838
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-pyridin-3-ylbenzoic acid
CID 2795575
CID 87991375
CID 87991375
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide
CID 165116197

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide?
The IUPAC name of N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide (CID 134557942) is N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide.
What is the SMILES notation for N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide?
The canonical SMILES for N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide is C=C(Nc1ccc(C(=O)NO)cc1)N(c1ccc(-c2cccnc2)cc1C)C(C)C.
What is the InChIKey of N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide?
The InChIKey is QPUFQONDMXFVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16(2)28(18(4)26-22-10-7-19(8-11-22)24(29)27-30)23-12-9-20(14-17(23)3)21-6-5-13-25-15-21/h5-16,26,30H,4H2,1-3H3,(H,27,29).
What are the key properties of N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide?
N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide is sourced from PubChem (CID 134557942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).