N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide

C19H20BrN3O4 — CID 142083421

IUPACN-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide
SMILESC/C=C(\C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C19H20BrN3O4/c1-5-11(2)18(24)22-14-9-16(27-4)15(26-3)8-13(14)19(25)23-17-7-6-12(20)10-21-17/h5-10H,1-4H3,(H,22,24)(H,21,23,25)/b11-5+
InChIKeyXHMMSXNVORKCSP-VZUCSPMQSA-N
MW434.29 g/mol
LogP4.02
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide

N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide (PubChem CID 142083421) has the molecular formula C19H20BrN3O4 and a molecular weight of 434.29 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide
PubChem CID142083421
Molecular FormulaC19H20BrN3O4
Molecular Weight434.29 g/mol
Exact Mass433.06
IUPAC NameN-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide
SMILESC/C=C(\C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C19H20BrN3O4/c1-5-11(2)18(24)22-14-9-16(27-4)15(26-3)8-13(14)19(25)23-17-7-6-12(20)10-21-17/h5-10H,1-4H3,(H,22,24)(H,21,23,25)/b11-5+
InChIKeyXHMMSXNVORKCSP-VZUCSPMQSA-N
XLogP4.02
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 115274006
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CID 23935414
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
CID 115274010
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CID 166872715
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62954749
N-(5-bromo-2-pyridinyl)-2-[(4-isocyanobenzoyl)amino]-5-methoxybenzamide
CID 18728045
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide
CID 158561151
4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
CID 3654451
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide (CID 142083421) is N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide is C/C=C(\C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide?
The InChIKey is XHMMSXNVORKCSP-VZUCSPMQSA-N. The full InChI is InChI=1S/C19H20BrN3O4/c1-5-11(2)18(24)22-14-9-16(27-4)15(26-3)8-13(14)19(25)23-17-7-6-12(20)10-21-17/h5-10H,1-4H3,(H,22,24)(H,21,23,25)/b11-5+.
What are the key properties of N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide?
N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide has a molecular weight of 434.29 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide is sourced from PubChem (CID 142083421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).