N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide

C17H18BrN3O — CID 171364209

IUPACN-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide
SMILESCC(C)(C)/C(=N\NC(=O)c1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O/c1-17(2,3)15(12-7-9-13(18)10-8-12)20-21-16(22)14-6-4-5-11-19-14/h4-11H,1-3H3,(H,21,22)/b20-15-
InChIKeyZGRGJEOBPDRGDY-HKWRFOASSA-N
MW360.26 g/mol
LogP4.02
Rot. Bonds3

About N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide

N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide (PubChem CID 171364209) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide
PubChem CID171364209
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC NameN-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide
SMILESCC(C)(C)/C(=N\NC(=O)c1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O/c1-17(2,3)15(12-7-9-13(18)10-8-12)20-21-16(22)14-6-4-5-11-19-14/h4-11H,1-3H3,(H,21,22)/b20-15-
InChIKeyZGRGJEOBPDRGDY-HKWRFOASSA-N
XLogP4.02
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide
CID 3448394
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CID 135460521
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
CID 3951053
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
1-[(E)-[(4-bromophenyl)-pyridin-2-ylmethylidene]amino]-3-methylthiourea
CID 54757236
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide
CID 4789969

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide (CID 171364209) is N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide is CC(C)(C)/C(=N\NC(=O)c1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide?
The InChIKey is ZGRGJEOBPDRGDY-HKWRFOASSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-17(2,3)15(12-7-9-13(18)10-8-12)20-21-16(22)14-6-4-5-11-19-14/h4-11H,1-3H3,(H,21,22)/b20-15-.
What are the key properties of N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide?
N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide has a molecular weight of 360.26 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(4-bromophenyl)-2,2-dimethylpropylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 171364209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).